BAS 13776400
TL;DR: BAS 13776400 (CAS 887672-64-2) is a chemical compound with molecular formula C16H14N6O3S and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 13776400, A4041/0172302, 4-(2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[({[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C16H14N6O3S |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 1.7011 |
| Topological Polar Surface Area | 122.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.0848 |
| Heavy Atoms | 26 |
| Complexity | 926.91797 |
Chemical Identifiers
| CAS Number | 887672-64-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=NC=CN=C3 |
Product Overview
BAS 13776400 (CAS 887672-64-2), with molecular formula C16H14N6O3S and molecular weight 370.08 g/mol. IUPAC: 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of BAS 13776400
Property Insights of BAS 13776400
The XLogP value of 1.7011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776400. The TPSA of 122.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776400. Following Lipinski's Rule of Five, BAS 13776400 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 BAS 13776400?
The CAS number of BAS 13776400 is 887672-64-2.
What is the molecular formula of BAS 13776400?
The molecular formula of BAS 13776400 is C16H14N6O3S.
What is the molecular weight of BAS 13776400?
The molecular weight of BAS 13776400 is 370.08 g/mol.
Where can I buy BAS 13776400?
You can request a quote for BAS 13776400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776400?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.