1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol
TL;DR: 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol (CAS 58001-91-5) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,15S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Also Known As: Estetrol Impurity 6, Estriol Impurity N1, 15beta,16beta,17beta-Estetrol, Cid 6453561, 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 1.5508 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 600.75 |
Chemical Identifiers
| CAS Number | 58001-91-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]([C@@H]([C@@H]2O)O)O)CCC4=C3C=CC(=C4)O |
Product Overview
1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol (CAS 58001-91-5), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: (8R,9S,13S,14S,15S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol.
Chemical Property Profile of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol
Property Insights of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol
The XLogP value of 1.5508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol. Following Lipinski's Rule of Five, 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol has 4 hydrogen bond donor(s) and 4 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 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol?
The CAS number of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol is 58001-91-5.
What is the molecular formula of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol?
The molecular formula of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol is C18H24O4.
What is the molecular weight of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol?
The molecular weight of 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol is 304.17 g/mol.
Where can I buy 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol?
You can request a quote for 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5(10)-Estratriene-3,15beta,16beta,17beta-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.