Estrane-3,17-diol, (3alpha,5beta,17beta)-
TL;DR: Estrane-3,17-diol, (3alpha,5beta,17beta)- (CAS 108682-55-9) 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,5R,8R,9R,10S,13S,14S,17S)-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: 5beta-Estrane-3alpha,17beta-diol, 5B-Estran-3A,17B-diol, 5?-Estran-3?,17?-diol, 5beta-Estran-3alpha,17beta-diol, Estrane-3,17-diol, (3alpha,5beta,17beta)-
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 108682-55-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2O)O |
| InChIKey | QNKATSBSLLYTMH-QPZWGXJQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estrane-3,17-diol, (3alpha,5beta,17beta)- (CAS 108682-55-9), with molecular formula C18H30O2 and molecular weight 278.22 g/mol. IUPAC: (3R,5R,8R,9R,10S,13S,14S,17S)-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, (3alpha,5beta,17beta)-
Property Insights of Estrane-3,17-diol, (3alpha,5beta,17beta)-
The XLogP value of 3.8 indicates that Estrane-3,17-diol, (3alpha,5beta,17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Estrane-3,17-diol, (3alpha,5beta,17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estrane-3,17-diol, (3alpha,5beta,17beta)- 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, (3alpha,5beta,17beta)-?
The CAS number of Estrane-3,17-diol, (3alpha,5beta,17beta)- is 108682-55-9.
What is the molecular formula of Estrane-3,17-diol, (3alpha,5beta,17beta)-?
The molecular formula of Estrane-3,17-diol, (3alpha,5beta,17beta)- is C18H30O2.
What is the molecular weight of Estrane-3,17-diol, (3alpha,5beta,17beta)-?
The molecular weight of Estrane-3,17-diol, (3alpha,5beta,17beta)- is 278.22 g/mol.
Where can I buy Estrane-3,17-diol, (3alpha,5beta,17beta)-?
You can request a quote for Estrane-3,17-diol, (3alpha,5beta,17beta)- 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, (3alpha,5beta,17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estrane-3,17-diol, (3alpha,5beta,17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.