A4034/0171958
TL;DR: A4034/0171958 (CAS 899368-66-2) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
Also Known As: A4034/0171958, 2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide, 2-({4-cyano-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2,4,6-trien-5-yl}sulfanyl)-N-(3-ethoxyphenyl)acetamide, 2-[(4-cyano-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide, 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.78018 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 932.4882 |
Chemical Identifiers
| CAS Number | 899368-66-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C=C2C#N)N4CCC3CC4 |
Product Overview
A4034/0171958 (CAS 899368-66-2), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide.
Chemical Property Profile of A4034/0171958
Property Insights of A4034/0171958
The XLogP value of 3.78018 indicates that A4034/0171958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A4034/0171958. Following Lipinski's Rule of Five, A4034/0171958 has 1 hydrogen bond donor(s) and 6 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 A4034/0171958?
The CAS number of A4034/0171958 is 899368-66-2.
What is the molecular formula of A4034/0171958?
The molecular formula of A4034/0171958 is C21H22N4O2S.
What is the molecular weight of A4034/0171958?
The molecular weight of A4034/0171958 is 394.15 g/mol.
Where can I buy A4034/0171958?
You can request a quote for A4034/0171958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4034/0171958?
Yes, KEHONG BIO provides custom synthesis services for A4034/0171958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.