estr-4-en-17beta-ol
TL;DR: estr-4-en-17beta-ol (CAS 3646-30-8) is a chemical compound with molecular formula C18H28O and molecular weight 260.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: estr-4-en-17beta-ol, 4-estren-17beta-ol, Estr-4-en-17ss-ol, (17, A)-estr-4-en-17-ol
| Molecular Formula | C18H28O |
|---|---|
| Molecular Weight | 260.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.21402 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 3646-30-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CCCC[C@H]34 |
| InChIKey | CAFOMEFFALHXPZ-IZPLOLCNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
estr-4-en-17beta-ol (CAS 3646-30-8), with molecular formula C18H28O and molecular weight 260.21 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of estr-4-en-17beta-ol
Property Insights of estr-4-en-17beta-ol
The XLogP value of 4.2 indicates that estr-4-en-17beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, estr-4-en-17beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, estr-4-en-17beta-ol has 1 hydrogen bond donor(s) and 1 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 estr-4-en-17beta-ol?
The CAS number of estr-4-en-17beta-ol is 3646-30-8.
What is the molecular formula of estr-4-en-17beta-ol?
The molecular formula of estr-4-en-17beta-ol is C18H28O.
What is the molecular weight of estr-4-en-17beta-ol?
The molecular weight of estr-4-en-17beta-ol is 260.21 g/mol.
Where can I buy estr-4-en-17beta-ol?
You can request a quote for estr-4-en-17beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for estr-4-en-17beta-ol?
Yes, KEHONG BIO provides custom synthesis services for estr-4-en-17beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.