ChemDiv2_001313
TL;DR: ChemDiv2_001313 (CAS 487026-22-2) is a chemical compound with molecular formula C19H13ClN6O and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenoxy)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv2_001313, AE-848/41541647, 4-chlorophenyl (7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl ether, 3-((4-chlorophenoxy)methyl)-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-[(4-chlorophenoxy)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C19H13ClN6O |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.6956 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.08392 |
| Heavy Atoms | 27 |
| Complexity | 1230.0266 |
Chemical Identifiers
| CAS Number | 487026-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)COC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv2_001313 (CAS 487026-22-2), with molecular formula C19H13ClN6O and molecular weight 376.08 g/mol. IUPAC: 5-[(4-chlorophenoxy)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv2_001313
Property Insights of ChemDiv2_001313
The XLogP value of 3.6956 indicates that ChemDiv2_001313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001313. Following Lipinski's Rule of Five, ChemDiv2_001313 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_001313?
The CAS number of ChemDiv2_001313 is 487026-22-2.
What is the molecular formula of ChemDiv2_001313?
The molecular formula of ChemDiv2_001313 is C19H13ClN6O.
What is the molecular weight of ChemDiv2_001313?
The molecular weight of ChemDiv2_001313 is 376.08 g/mol.
Where can I buy ChemDiv2_001313?
You can request a quote for ChemDiv2_001313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001313?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.