A3905/0166096
TL;DR: A3905/0166096 (CAS 728888-41-3) is a chemical compound with molecular formula C19H16Cl2N4OS and molecular weight 418.04 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-(2,6-dichlorophenyl)acetamide
Also Known As: A3905/0166096, 2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide, 2-((7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)thio)-N-(2,6-dichlorophenyl)acetamide
| Molecular Formula | C19H16Cl2N4OS |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 4.68828 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.04218 |
| Heavy Atoms | 27 |
| Complexity | 931.2063 |
Chemical Identifiers
| CAS Number | 728888-41-3 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C=C(C(=N3)SCC(=O)NC4=C(C=CC=C4Cl)Cl)C#N |
Product Overview
A3905/0166096 (CAS 728888-41-3), with molecular formula C19H16Cl2N4OS and molecular weight 418.04 g/mol. IUPAC: 2-[(4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.
Chemical Property Profile of A3905/0166096
Property Insights of A3905/0166096
The XLogP value of 4.68828 indicates that A3905/0166096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3905/0166096. Following Lipinski's Rule of Five, A3905/0166096 has 1 hydrogen bond donor(s) and 5 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 A3905/0166096?
The CAS number of A3905/0166096 is 728888-41-3.
What is the molecular formula of A3905/0166096?
The molecular formula of A3905/0166096 is C19H16Cl2N4OS.
What is the molecular weight of A3905/0166096?
The molecular weight of A3905/0166096 is 418.04 g/mol.
Where can I buy A3905/0166096?
You can request a quote for A3905/0166096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3905/0166096?
Yes, KEHONG BIO provides custom synthesis services for A3905/0166096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.