BAS 12814428
TL;DR: BAS 12814428 (CAS 878414-35-8) is a chemical compound with molecular formula C13H12N6S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-methylsulfanyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Also Known As: BAS 12814428, 5-amino-2-(methylsulfanyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 5-amino-2-(methylthio)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 5-amino-2-methylsulfanyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
| Molecular Formula | C13H12N6S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.70878 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0844 |
| Heavy Atoms | 20 |
| Complexity | 712.20776 |
Chemical Identifiers
| CAS Number | 878414-35-8 |
|---|---|
| SMILES | CSC1=NN2C(C(=C(NC2=N1)N)C#N)C3=CC=CC=C3 |
Product Overview
BAS 12814428 (CAS 878414-35-8), with molecular formula C13H12N6S and molecular weight 284.08 g/mol. IUPAC: 5-amino-2-methylsulfanyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
Chemical Property Profile of BAS 12814428
Property Insights of BAS 12814428
The XLogP value of 1.70878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12814428. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12814428. Following Lipinski's Rule of Five, BAS 12814428 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 BAS 12814428?
The CAS number of BAS 12814428 is 878414-35-8.
What is the molecular formula of BAS 12814428?
The molecular formula of BAS 12814428 is C13H12N6S.
What is the molecular weight of BAS 12814428?
The molecular weight of BAS 12814428 is 284.08 g/mol.
Where can I buy BAS 12814428?
You can request a quote for BAS 12814428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12814428?
Yes, KEHONG BIO provides custom synthesis services for BAS 12814428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.