3beta-Hydroxydesogestrel
TL;DR: 3beta-Hydroxydesogestrel (CAS 70805-85-5) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 3beta-Hydroxydesogestrel, Desogestrel impurity E, 3b-Hydroxydesogestrel, 3a-Hydroxydesogestrel, Desogestrel impurity E [EP]
| Molecular Formula | C22H30O2 |
|---|---|
| Molecular Weight | 326.22 g/mol |
| LogP | 3.8405 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.22458 |
| Heavy Atoms | 24 |
| Complexity | 626.3714 |
Chemical Identifiers
| CAS Number | 70805-85-5 |
|---|---|
| SMILES | CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@H](CC[C@H]34)O |
Product Overview
3beta-Hydroxydesogestrel (CAS 70805-85-5), with molecular formula C22H30O2 and molecular weight 326.22 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 3beta-Hydroxydesogestrel
Property Insights of 3beta-Hydroxydesogestrel
The XLogP value of 3.8405 indicates that 3beta-Hydroxydesogestrel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3beta-Hydroxydesogestrel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxydesogestrel 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 3beta-Hydroxydesogestrel?
The CAS number of 3beta-Hydroxydesogestrel is 70805-85-5.
What is the molecular formula of 3beta-Hydroxydesogestrel?
The molecular formula of 3beta-Hydroxydesogestrel is C22H30O2.
What is the molecular weight of 3beta-Hydroxydesogestrel?
The molecular weight of 3beta-Hydroxydesogestrel is 326.22 g/mol.
Where can I buy 3beta-Hydroxydesogestrel?
You can request a quote for 3beta-Hydroxydesogestrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxydesogestrel?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxydesogestrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.