BAS 12814437
TL;DR: BAS 12814437 (CAS 878414-55-2) is a chemical compound with molecular formula C13H9ClN6S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Also Known As: BAS 12814437, 5-amino-2-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 5-amino-2-[(2-chlorobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl cyanide, 5-Amino-2-((2-chlorobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 5-amino-2-[(2-chlorobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
| Molecular Formula | C13H9ClN6S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.52388 |
| Topological Polar Surface Area | 92.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0298 |
| Heavy Atoms | 21 |
| Complexity | 853.47906 |
Chemical Identifiers
| CAS Number | 878414-55-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN3C=C(C(=NC3=N2)N)C#N)Cl |
Product Overview
BAS 12814437 (CAS 878414-55-2), with molecular formula C13H9ClN6S and molecular weight 316.03 g/mol. IUPAC: 5-amino-2-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
Chemical Property Profile of BAS 12814437
Property Insights of BAS 12814437
The XLogP value of 2.52388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12814437. The TPSA of 92.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12814437. Following Lipinski's Rule of Five, BAS 12814437 has 1 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 BAS 12814437?
The CAS number of BAS 12814437 is 878414-55-2.
What is the molecular formula of BAS 12814437?
The molecular formula of BAS 12814437 is C13H9ClN6S.
What is the molecular weight of BAS 12814437?
The molecular weight of BAS 12814437 is 316.03 g/mol.
Where can I buy BAS 12814437?
You can request a quote for BAS 12814437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12814437?
Yes, KEHONG BIO provides custom synthesis services for BAS 12814437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.