AB00681257-01
TL;DR: AB00681257-01 (CAS 886960-54-9) is a chemical compound with molecular formula C19H18ClN5O2S and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-6-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB00681257-01, F2714-0161, 2-((4-amino-6-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(m-tolyl)acetamide, 2-({4-amino-6-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide, 2-[[4-amino-6-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C19H18ClN5O2S |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 2.63552 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.08698 |
| Heavy Atoms | 28 |
| Complexity | 1052.9348 |
Chemical Identifiers
| CAS Number | 886960-54-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CC3=CC=C(C=C3)Cl |
Product Overview
AB00681257-01 (CAS 886960-54-9), with molecular formula C19H18ClN5O2S and molecular weight 415.09 g/mol. IUPAC: 2-[[4-amino-6-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00681257-01
Property Insights of AB00681257-01
The XLogP value of 2.63552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681257-01. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681257-01. Following Lipinski's Rule of Five, AB00681257-01 has 2 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 AB00681257-01?
The CAS number of AB00681257-01 is 886960-54-9.
What is the molecular formula of AB00681257-01?
The molecular formula of AB00681257-01 is C19H18ClN5O2S.
What is the molecular weight of AB00681257-01?
The molecular weight of AB00681257-01 is 415.09 g/mol.
Where can I buy AB00681257-01?
You can request a quote for AB00681257-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681257-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681257-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.