C15H13ClN6
TL;DR: C15H13ClN6 (CAS 848739-58-2) is a chemical compound with molecular formula C15H13ClN6 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chloro-4-methylphenyl)-5-ethyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(3-chloro-4-methylphenyl)-3-ethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(3-chloro-4-methylphenyl)-7-ethyl-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e ]pyrimidine
| Molecular Formula | C15H13ClN6 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 2.98742 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.08902 |
| Heavy Atoms | 22 |
| Complexity | 1000.03064 |
Chemical Identifiers
| CAS Number | 848739-58-2 |
|---|---|
| SMILES | CCC1=NN=C2N1C=NC3=C2C=NN3C4=CC(=C(C=C4)C)Cl |
Product Overview
C15H13ClN6 (CAS 848739-58-2), with molecular formula C15H13ClN6 and molecular weight 312.09 g/mol. IUPAC: 10-(3-chloro-4-methylphenyl)-5-ethyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C15H13ClN6
Property Insights of C15H13ClN6
The XLogP value of 2.98742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H13ClN6. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H13ClN6. Following Lipinski's Rule of Five, C15H13ClN6 has 0 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 C15H13ClN6?
The CAS number of C15H13ClN6 is 848739-58-2.
What is the molecular formula of C15H13ClN6?
The molecular formula of C15H13ClN6 is C15H13ClN6.
What is the molecular weight of C15H13ClN6?
The molecular weight of C15H13ClN6 is 312.09 g/mol.
Where can I buy C15H13ClN6?
You can request a quote for C15H13ClN6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H13ClN6?
Yes, KEHONG BIO provides custom synthesis services for C15H13ClN6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.