11-Dehydro-3,17alpha-estradiol
TL;DR: 11-Dehydro-3,17alpha-estradiol (CAS 4145-55-5) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S,17R)-13-methyl-6,7,8,9,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 11-Dehydro-3,17alpha-estradiol, 1,3,5(10),11-Estratetraene-3,17-alpha-diol, Estra-1(10),2,4,11-tetraene-3,17-diol, Estra-1(10),2,4,11-tetraene-3,17alpha-diol, Estra-1,3,5(10),11-tetraene-3,17-diol, (17alpha)-
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 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 | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 4145-55-5 |
|---|---|
| SMILES | C[C@]12C=C[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | YAXUWNGFJBVVRM-SFFUCWETSA-N |
Product Overview
11-Dehydro-3,17alpha-estradiol (CAS 4145-55-5), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (8S,9S,13S,14S,17R)-13-methyl-6,7,8,9,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 11-Dehydro-3,17alpha-estradiol
Property Insights of 11-Dehydro-3,17alpha-estradiol
The XLogP value of 3.8 indicates that 11-Dehydro-3,17alpha-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, 11-Dehydro-3,17alpha-estradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Dehydro-3,17alpha-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 11-Dehydro-3,17alpha-estradiol?
The CAS number of 11-Dehydro-3,17alpha-estradiol is 4145-55-5.
What is the molecular formula of 11-Dehydro-3,17alpha-estradiol?
The molecular formula of 11-Dehydro-3,17alpha-estradiol is C18H22O2.
What is the molecular weight of 11-Dehydro-3,17alpha-estradiol?
The molecular weight of 11-Dehydro-3,17alpha-estradiol is 270.16 g/mol.
Where can I buy 11-Dehydro-3,17alpha-estradiol?
You can request a quote for 11-Dehydro-3,17alpha-estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Dehydro-3,17alpha-estradiol?
Yes, KEHONG BIO provides custom synthesis services for 11-Dehydro-3,17alpha-estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.