12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-
TL;DR: 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- (CAS 114199-96-1) 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.
(8S,10S,12S,13S,14S,17S)-17-acetyl-10,12,13-trimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-, 12alpha-Methylpregna-4,9(11)-diene-3,20-dione, J2.790.333I, 12, A-methylpregna-4,9(11)-diene-3,20-dione
| Molecular Formula | C22H30O2 |
|---|---|
| Molecular Weight | 326.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.22458 |
| Heavy Atoms | 24 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 114199-96-1 |
|---|---|
| SMILES | C[C@H]1C=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@H]4[C@]1([C@H](CC4)C(=O)C)C |
| InChIKey | JPIUWRVPCMVEFM-JCLYDMDCSA-N |
Product Overview
12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- (CAS 114199-96-1), with molecular formula C22H30O2 and molecular weight 326.22 g/mol. IUPAC: (8S,10S,12S,13S,14S,17S)-17-acetyl-10,12,13-trimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-
Property Insights of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-
The XLogP value of 3.4 indicates that 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- has 0 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 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-?
The CAS number of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- is 114199-96-1.
What is the molecular formula of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-?
The molecular formula of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- is C22H30O2.
What is the molecular weight of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-?
The molecular weight of 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- is 326.22 g/mol.
Where can I buy 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-?
You can request a quote for 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.