beta-Estradiol semihydrate supplier

Name
Estradiol hemihydrate
EINECS 200-023-8
CAS No. 35380-71-3
Density
Solubility
Melting Point
Formula C₃₆H₅₀O₅
Boiling Point 445.9 °C at 760 mmHg
Molecular Weight 562.78
Flash Point 209.6 °C
Transport Information
Appearance
Safety 53-36/37-45
Risk Codes 60-63-40-64
Molecular Structure
Hazard Symbols T
Synonyms Estradiolhemihydrate;b-Estradiolhemihydrate;b-Estradiolsemihydrate;
PSA 49.69000
LogP 3.54490

beta-Estradiol semihydrate Specification

This chemical is called Estra-1,3,5(10)-triene-3,17-diol(17β)-, hydrate (2:1), and its systematic name is (17β)-estra-1,3,5(10)-triene-3,17-diol hydrate (2:1). With the molecular formula of C₃₆H₅₀O₅, its molecular weight is 562.78. The CAS registry number of this chemical is 35380-71-3.

Other characteristics of the Estra-1,3,5(10)-triene-3,17-diol(17β)-, hydrate (2:1) can be summarised as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 811.75; (6)ACD/BCF (pH 7.4): 810.7; (7)ACD/KOC (pH 5.5): 4208.86; (8)ACD/KOC (pH 7.4): 4203.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Flash Point: 209.6 °C; (14)Enthalpy of Vaporization: 74.19 kJ/mol; (15)Boiling Point: 445.9 °C at 760 mmHg; (16)Vapour Pressure: 9.82E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O.Oc1cc2c(cc1)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC2.Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)CC[C@H]4[C@@H]2CC3)C
2.InChI: InChI=1/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1
3.InChIKey: ZVVGLAMWAQMPDR-WVEWYJOQBB

Product Name

Estradiol hemihydrate

beta-Estradiol semihydrate Specification

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