LY 341495 supplier | CasNO.201943-63-7

Name
LY 341495
EINECS
CAS No. 201943-63-7
Density 1.433 g/cm³
Solubility Soluble to 10 mM in DMSO and to 100 mM in 1.2eq. NaOH
Melting Point
Formula C₂₀H₁₉NO₅
Boiling Point 580.841 °C at 760 mmHg
Molecular Weight 353.375
Flash Point 305.082 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9H-Xanthene-9-propanoicacid, a-amino-a-(2-carboxycyclopropyl)-, [1S-[1a(R*),2b]]-;(1S,2S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid;
PSA 109.85000
LogP 3.51740

LY 341495 Specification

The 9H-Xanthene-9-propanoicacid, a-amino-a-[(1S,2S)-2-carboxycyclopropyl]-,(aS)-, with the CAS registry number 201943-63-7, is also known as (1S,2S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid. It belongs to the product category of Glutamate. This chemical's molecular formula is C₂₀H₁₉NO₅ and molecular weight is 353.3686. What's more, its systematic name is called (1S,2S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid.

Physical properties about 9H-Xanthene-9-propanoicacid, a-amino-a-[(1S,2S)-2-carboxycyclopropyl]-,(aS)- are: (1)ACD/LogP: 2.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 109.85 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 92.017 cm³; (15)Molar Volume: 246.668 cm³; (16)Polarizability: 36.479×10^-24cm³; (17)Surface Tension: 72.62 dyne/cm; (18)Density: 1.433 g/cm³; (19)Flash Point: 305.082 °C; (20)Enthalpy of Vaporization: 91.379 kJ/mol; (21)Boiling Point: 580.841 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]1C[C@@H]1[C@@](C(=O)O)(N)CC3c4c(Oc2c3cccc2)cccc4
(2) InChI: InChI=1/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
(3) InChIKey: VLZBRVJVCCNPRJ-KPHUOKFYBL

Product Name

LY 341495

LY 341495 Specification

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