N-Cyano-2-aza-A-norandrostan-17-ol acetate
TL;DR: N-Cyano-2-aza-A-norandrostan-17-ol acetate (CAS 80407-73-4) is a chemical compound with molecular formula C20H30N2O2 and molecular weight 330.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,3bS,5aS,6S,8aS,8bR,10aR)-2-cyano-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]isoindol-6-yl] acetate
Also Known As: Sid 769308, KST-1A8319, N-Cyano-2-aza-A-norandrostan-17-ol acetate, N-Cyano-2-aza-A-nor-5alpha-androstan-17beta-ol acetate, (3ar,3bs,5as,6s,8as,8br,10ar)-2-cyano-3a,5a-dimethylhexadecahydroindeno[5,4-e]isoindol-6-yl acetate
| Molecular Formula | C20H30N2O2 |
|---|---|
| Molecular Weight | 330.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.23074 |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 80407-73-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CN(C4)C#N)C)C |
| InChIKey | LJZPRPPBYVQIIF-RBZZARIASA-N |
Product Overview
N-Cyano-2-aza-A-norandrostan-17-ol acetate (CAS 80407-73-4), with molecular formula C20H30N2O2 and molecular weight 330.23 g/mol. IUPAC: [(3aR,3bS,5aS,6S,8aS,8bR,10aR)-2-cyano-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]isoindol-6-yl] acetate.
Chemical Property Profile of N-Cyano-2-aza-A-norandrostan-17-ol acetate
Property Insights of N-Cyano-2-aza-A-norandrostan-17-ol acetate
The XLogP value of 4.4 indicates that N-Cyano-2-aza-A-norandrostan-17-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, N-Cyano-2-aza-A-norandrostan-17-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyano-2-aza-A-norandrostan-17-ol acetate has 0 hydrogen bond donor(s) and 4 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 N-Cyano-2-aza-A-norandrostan-17-ol acetate?
The CAS number of N-Cyano-2-aza-A-norandrostan-17-ol acetate is 80407-73-4.
What is the molecular formula of N-Cyano-2-aza-A-norandrostan-17-ol acetate?
The molecular formula of N-Cyano-2-aza-A-norandrostan-17-ol acetate is C20H30N2O2.
What is the molecular weight of N-Cyano-2-aza-A-norandrostan-17-ol acetate?
The molecular weight of N-Cyano-2-aza-A-norandrostan-17-ol acetate is 330.23 g/mol.
Where can I buy N-Cyano-2-aza-A-norandrostan-17-ol acetate?
You can request a quote for N-Cyano-2-aza-A-norandrostan-17-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-2-aza-A-norandrostan-17-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-2-aza-A-norandrostan-17-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.