17α-雌二醇
TL;DR: 17α-雌二醇 (CAS 57-91-0) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17α-雌二醇
(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17alpha-Estradiol, alpha-Estradiol, Alfatradiol, Epiestradiol, 17a-estradiol
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
| Melting Point | 216 - 219 °C |
| Solubility | 0.0039 mg/mL |
Chemical Identifiers
| CAS Number | 57-91-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | VOXZDWNPVJITMN-SFFUCWETSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17α-雌二醇 (CAS 57-91-0), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17α-雌二醇
Property Insights of 17α-雌二醇
The XLogP value of 4.0 indicates that 17α-雌二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17α-雌二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17α-雌二醇 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 17α-雌二醇?
The CAS number of 17α-雌二醇 is 57-91-0.
What is the molecular formula of 17α-雌二醇?
The molecular formula of 17α-雌二醇 is C18H24O2.
What is the molecular weight of 17α-雌二醇?
The molecular weight of 17α-雌二醇 is 272.18 g/mol.
Where can I buy 17α-雌二醇?
You can request a quote for 17α-雌二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17α-雌二醇?
Yes, KEHONG BIO provides custom synthesis services for 17α-雌二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.