16beta-Hydroxy Norgestrel
TL;DR: 16beta-Hydroxy Norgestrel (CAS 40915-03-5) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 16beta-Hydroxy Norgestrel, 16 Beta-hydroxynorgestrel, DL-16.beta.-Hydroxy-norgestrel, 13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 40915-03-5 |
|---|---|
| SMILES | CCC12CCC3C(C1CC(C2(C#C)O)O)CCC4=CC(=O)CCC34 |
| InChIKey | CPLFYDXNDVOJDT-UHFFFAOYSA-N |
Product Overview
16beta-Hydroxy Norgestrel (CAS 40915-03-5), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 16beta-Hydroxy Norgestrel
Property Insights of 16beta-Hydroxy Norgestrel
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16beta-Hydroxy Norgestrel. With a topological polar surface area (TPSA) of 57.5 Ų, 16beta-Hydroxy Norgestrel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16beta-Hydroxy Norgestrel has 2 hydrogen bond donor(s) and 3 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 16beta-Hydroxy Norgestrel?
The CAS number of 16beta-Hydroxy Norgestrel is 40915-03-5.
What is the molecular formula of 16beta-Hydroxy Norgestrel?
The molecular formula of 16beta-Hydroxy Norgestrel is C21H28O3.
What is the molecular weight of 16beta-Hydroxy Norgestrel?
The molecular weight of 16beta-Hydroxy Norgestrel is 328.20 g/mol.
Where can I buy 16beta-Hydroxy Norgestrel?
You can request a quote for 16beta-Hydroxy Norgestrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16beta-Hydroxy Norgestrel?
Yes, KEHONG BIO provides custom synthesis services for 16beta-Hydroxy Norgestrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.