AB00681249-01
TL;DR: AB00681249-01 (CAS 723322-66-5) is a chemical compound with molecular formula C13H14ClN5O2S and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: AB00681249-01, F2714-0039, 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
| Molecular Formula | C13H14ClN5O2S |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 1.35314 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.05566 |
| Heavy Atoms | 22 |
| Complexity | 777.51117 |
Chemical Identifiers
| CAS Number | 723322-66-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C(=O)N2N)C |
Product Overview
AB00681249-01 (CAS 723322-66-5), with molecular formula C13H14ClN5O2S and molecular weight 339.06 g/mol. IUPAC: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of AB00681249-01
Property Insights of AB00681249-01
The XLogP value of 1.35314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681249-01. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681249-01. Following Lipinski's Rule of Five, AB00681249-01 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 AB00681249-01?
The CAS number of AB00681249-01 is 723322-66-5.
What is the molecular formula of AB00681249-01?
The molecular formula of AB00681249-01 is C13H14ClN5O2S.
What is the molecular weight of AB00681249-01?
The molecular weight of AB00681249-01 is 339.06 g/mol.
Where can I buy AB00681249-01?
You can request a quote for AB00681249-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681249-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681249-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.