4-Methyl-4-aza-3-oxopregnane-20-carboxylate
TL;DR: 4-Methyl-4-aza-3-oxopregnane-20-carboxylate (CAS 85531-68-6) is a chemical compound with molecular formula C22H35NO3 and molecular weight 361.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propanoic acid
Also Known As: 4-Mapc, MAOPC, 4-Methyl-4-aza-3-oxopregnane-20-carboxylate, 4-Methyl-4-aza-3-oxopregnan-20-carboxylate, 4-Methyl-4-aza-3-oxo-5alpha-pregnan-20-carboxylate
| Molecular Formula | C22H35NO3 |
|---|---|
| Molecular Weight | 361.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.2617 |
| Heavy Atoms | 26 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 85531-68-6 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C)C(=O)O |
| InChIKey | SXZYCRORGALMIH-VNKQRKCFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-4-aza-3-oxopregnane-20-carboxylate (CAS 85531-68-6), with molecular formula C22H35NO3 and molecular weight 361.26 g/mol. IUPAC: (2S)-2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propanoic acid.
Chemical Property Profile of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate
Property Insights of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate
The XLogP value of 4.5 indicates that 4-Methyl-4-aza-3-oxopregnane-20-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 4-Methyl-4-aza-3-oxopregnane-20-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-aza-3-oxopregnane-20-carboxylate has 1 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 4-Methyl-4-aza-3-oxopregnane-20-carboxylate?
The CAS number of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate is 85531-68-6.
What is the molecular formula of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate?
The molecular formula of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate is C22H35NO3.
What is the molecular weight of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate?
The molecular weight of 4-Methyl-4-aza-3-oxopregnane-20-carboxylate is 361.26 g/mol.
Where can I buy 4-Methyl-4-aza-3-oxopregnane-20-carboxylate?
You can request a quote for 4-Methyl-4-aza-3-oxopregnane-20-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-4-aza-3-oxopregnane-20-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-aza-3-oxopregnane-20-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.