AJ-292/41302894
TL;DR: AJ-292/41302894 (CAS 448914-90-7) is a chemical compound with molecular formula C13H13ClN8S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-chloro-2-methylphenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
Also Known As: AJ-292/41302894, [4-amino-6-(4H-1,2,4-triazol-3-ylthiomethyl)(1,3,5-triazin-2-yl)](3-chloro-2-m ethylphenyl)amine, 2-N-(3-chloro-2-methylphenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine, 6-(((4H-1,2,4-triazol-3-yl)thio)methyl)-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine, N-(3-chloro-2-methylphenyl)-6-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C13H13ClN8S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 2.56962 |
| Topological Polar Surface Area | 118.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.06723 |
| Heavy Atoms | 23 |
| Complexity | 807.73914 |
Chemical Identifiers
| CAS Number | 448914-90-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC3=NC=NN3 |
Product Overview
AJ-292/41302894 (CAS 448914-90-7), with molecular formula C13H13ClN8S and molecular weight 348.07 g/mol. IUPAC: 2-N-(3-chloro-2-methylphenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of AJ-292/41302894
Property Insights of AJ-292/41302894
The XLogP value of 2.56962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/41302894. The TPSA of 118.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41302894. Following Lipinski's Rule of Five, AJ-292/41302894 has 3 hydrogen bond donor(s) and 8 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 AJ-292/41302894?
The CAS number of AJ-292/41302894 is 448914-90-7.
What is the molecular formula of AJ-292/41302894?
The molecular formula of AJ-292/41302894 is C13H13ClN8S.
What is the molecular weight of AJ-292/41302894?
The molecular weight of AJ-292/41302894 is 348.07 g/mol.
Where can I buy AJ-292/41302894?
You can request a quote for AJ-292/41302894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41302894?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41302894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.