ChemDiv3_015747
TL;DR: ChemDiv3_015747 (CAS 896598-15-5) is a chemical compound with molecular formula C14H13ClFN5O and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: ChemDiv3_015747, 2-[(2-chloro-6-fluorobenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-((2-chloro-6-fluorobenzyl)amino)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[(2-chloro-6-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-{[(2-CHLORO-6-FLUOROPHENYL)METHYL]AMINO}-5,6-DIMETHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
| Molecular Formula | C14H13ClFN5O |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.43904 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.07925 |
| Heavy Atoms | 22 |
| Complexity | 897.2226 |
Chemical Identifiers
| CAS Number | 896598-15-5 |
|---|---|
| SMILES | CC1=C(N=C2N=C(NN2C1=O)NCC3=C(C=CC=C3Cl)F)C |
Product Overview
ChemDiv3_015747 (CAS 896598-15-5), with molecular formula C14H13ClFN5O and molecular weight 321.08 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of ChemDiv3_015747
Property Insights of ChemDiv3_015747
The XLogP value of 2.43904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015747. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015747. Following Lipinski's Rule of Five, ChemDiv3_015747 has 2 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_015747?
The CAS number of ChemDiv3_015747 is 896598-15-5.
What is the molecular formula of ChemDiv3_015747?
The molecular formula of ChemDiv3_015747 is C14H13ClFN5O.
What is the molecular weight of ChemDiv3_015747?
The molecular weight of ChemDiv3_015747 is 321.08 g/mol.
Where can I buy ChemDiv3_015747?
You can request a quote for ChemDiv3_015747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015747?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.