17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one
TL;DR: 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one (CAS 89631-79-8) is a chemical compound with molecular formula C25H42N2O2 and molecular weight 402.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N,N-di(propan-2-yl)-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
Also Known As: 390 Msd, 390-Msd, 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one, L-645390, 17beta-N,N-Diisopropylcarbamoyl-4-aza-5alpha-androstan-3-one
| Molecular Formula | C25H42N2O2 |
|---|---|
| Molecular Weight | 402.32 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.32462 |
| Heavy Atoms | 29 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 89631-79-8 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4)C)C |
| InChIKey | KFZWDYQMBIYWFQ-QKONGSNMSA-N |
Product Overview
17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one (CAS 89631-79-8), with molecular formula C25H42N2O2 and molecular weight 402.32 g/mol. IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N,N-di(propan-2-yl)-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.
Chemical Property Profile of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one
Property Insights of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one
The XLogP value of 4.8 indicates that 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one has 1 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 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one?
The CAS number of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one is 89631-79-8.
What is the molecular formula of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one?
The molecular formula of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one is C25H42N2O2.
What is the molecular weight of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one?
The molecular weight of 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one is 402.32 g/mol.
Where can I buy 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one?
You can request a quote for 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-N,N-Diisopropylcarbamoyl-4-azaandrostan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.