ChemDiv3_015835
TL;DR: ChemDiv3_015835 (CAS 879439-98-2) is a chemical compound with molecular formula C15H13ClFN5O and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(2-chloro-6-fluorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: ChemDiv3_015835, 2-((2-chloro-6-fluorobenzyl)amino)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one, 2-[(2-chloro-6-fluorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-[(2-chloro-6-fluorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
| Molecular Formula | C15H13ClFN5O |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 2.3109 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.07925 |
| Heavy Atoms | 23 |
| Complexity | 944.141 |
Chemical Identifiers
| CAS Number | 879439-98-2 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=C(C=CC=C4Cl)F |
Product Overview
ChemDiv3_015835 (CAS 879439-98-2), with molecular formula C15H13ClFN5O and molecular weight 333.08 g/mol. IUPAC: 11-[(2-chloro-6-fluorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of ChemDiv3_015835
Property Insights of ChemDiv3_015835
The XLogP value of 2.3109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015835. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015835. Following Lipinski's Rule of Five, ChemDiv3_015835 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_015835?
The CAS number of ChemDiv3_015835 is 879439-98-2.
What is the molecular formula of ChemDiv3_015835?
The molecular formula of ChemDiv3_015835 is C15H13ClFN5O.
What is the molecular weight of ChemDiv3_015835?
The molecular weight of ChemDiv3_015835 is 333.08 g/mol.
Where can I buy ChemDiv3_015835?
You can request a quote for ChemDiv3_015835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015835?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.