AB00685182-01
TL;DR: AB00685182-01 (CAS 325994-75-0) is a chemical compound with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00685182-01, F0784-0186, methyl 4-(2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-({[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C13H15N5O3S |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 0.81772 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.08957 |
| Heavy Atoms | 22 |
| Complexity | 683.4841 |
Chemical Identifiers
| CAS Number | 325994-75-0 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
AB00685182-01 (CAS 325994-75-0), with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol. IUPAC: methyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00685182-01
Property Insights of AB00685182-01
The XLogP value of 0.81772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685182-01. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685182-01. Following Lipinski's Rule of Five, AB00685182-01 has 2 hydrogen bond donor(s) and 7 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 AB00685182-01?
The CAS number of AB00685182-01 is 325994-75-0.
What is the molecular formula of AB00685182-01?
The molecular formula of AB00685182-01 is C13H15N5O3S.
What is the molecular weight of AB00685182-01?
The molecular weight of AB00685182-01 is 321.09 g/mol.
Where can I buy AB00685182-01?
You can request a quote for AB00685182-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685182-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685182-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.