ChemDiv3_015038
TL;DR: ChemDiv3_015038 (CAS 726200-98-2) is a chemical compound with molecular formula C13H11ClN4OS and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: ChemDiv3_015038, BAS 10853258, 5-{[(4-chlorophenyl)thio]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-(((4-chlorophenyl)thio)methyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
| Molecular Formula | C13H11ClN4OS |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 2.67172 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0342 |
| Heavy Atoms | 20 |
| Complexity | 809.34436 |
Chemical Identifiers
| CAS Number | 726200-98-2 |
|---|---|
| SMILES | CC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_015038 (CAS 726200-98-2), with molecular formula C13H11ClN4OS and molecular weight 306.03 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of ChemDiv3_015038
Property Insights of ChemDiv3_015038
The XLogP value of 2.67172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015038. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015038. Following Lipinski's Rule of Five, ChemDiv3_015038 has 1 hydrogen bond donor(s) and 4 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 ChemDiv3_015038?
The CAS number of ChemDiv3_015038 is 726200-98-2.
What is the molecular formula of ChemDiv3_015038?
The molecular formula of ChemDiv3_015038 is C13H11ClN4OS.
What is the molecular weight of ChemDiv3_015038?
The molecular weight of ChemDiv3_015038 is 306.03 g/mol.
Where can I buy ChemDiv3_015038?
You can request a quote for ChemDiv3_015038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015038?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.