Ent-Estradiol
TL;DR: Ent-Estradiol (CAS 3736-22-9) 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.
(8S,9R,13R,14R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: ent-Estradiol, estradiol, 1-Estradiol, Estradiol, (-)-, Ent 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 |
Chemical Identifiers
| CAS Number | 3736-22-9 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | VOXZDWNPVJITMN-QXDIGNSFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ent-Estradiol (CAS 3736-22-9), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (8S,9R,13R,14R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Ent-Estradiol
Property Insights of Ent-Estradiol
The XLogP value of 4.0 indicates that Ent-Estradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Ent-Estradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ent-Estradiol 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 Ent-Estradiol?
The CAS number of Ent-Estradiol is 3736-22-9.
What is the molecular formula of Ent-Estradiol?
The molecular formula of Ent-Estradiol is C18H24O2.
What is the molecular weight of Ent-Estradiol?
The molecular weight of Ent-Estradiol is 272.18 g/mol.
Where can I buy Ent-Estradiol?
You can request a quote for Ent-Estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ent-Estradiol?
Yes, KEHONG BIO provides custom synthesis services for Ent-Estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.