Estrane-3,17-diol
TL;DR: Estrane-3,17-diol (CAS 517-01-1) is a chemical compound with molecular formula C18H30O2 and molecular weight 278.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,8R,9R,10S,13S,14S,17R)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Estrane-3,17-diol, Octahydroestrone, Estranediol B, Hexahydrodeoxyestriol, Estrane-3alpha,17alpha-diol
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22 g/mol |
| LogP | 3.3608 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 381.6145 |
Chemical Identifiers
| CAS Number | 517-01-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4[C@@H]3CC[C@H](C4)O |
Product Overview
Estrane-3,17-diol (CAS 517-01-1), with molecular formula C18H30O2 and molecular weight 278.22 g/mol. IUPAC: (3R,8R,9R,10S,13S,14S,17R)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estrane-3,17-diol
Property Insights of Estrane-3,17-diol
The XLogP value of 3.3608 indicates that Estrane-3,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Estrane-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estrane-3,17-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estrane-3,17-diol?
The CAS number of Estrane-3,17-diol is 517-01-1.
What is the molecular formula of Estrane-3,17-diol?
The molecular formula of Estrane-3,17-diol is C18H30O2.
What is the molecular weight of Estrane-3,17-diol?
The molecular weight of Estrane-3,17-diol is 278.22 g/mol.
Where can I buy Estrane-3,17-diol?
You can request a quote for Estrane-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrane-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for Estrane-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.