ChemDiv2_006988
TL;DR: ChemDiv2_006988 (CAS 847381-97-9) is a chemical compound with molecular formula C21H19ClN6O2 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
Also Known As: ChemDiv2_006988, IDI1_005703, F0656-0169, N-(2-chlorobenzyl)-2-(3-(4-methylbenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide, N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
| Molecular Formula | C21H19ClN6O2 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 2.31452 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1258 |
| Heavy Atoms | 30 |
| Complexity | 1262.7233 |
Chemical Identifiers
| CAS Number | 847381-97-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4Cl)N=N2 |
Product Overview
ChemDiv2_006988 (CAS 847381-97-9), with molecular formula C21H19ClN6O2 and molecular weight 422.13 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide.
Chemical Property Profile of ChemDiv2_006988
Property Insights of ChemDiv2_006988
The XLogP value of 2.31452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006988. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006988. Following Lipinski's Rule of Five, ChemDiv2_006988 has 1 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_006988?
The CAS number of ChemDiv2_006988 is 847381-97-9.
What is the molecular formula of ChemDiv2_006988?
The molecular formula of ChemDiv2_006988 is C21H19ClN6O2.
What is the molecular weight of ChemDiv2_006988?
The molecular weight of ChemDiv2_006988 is 422.13 g/mol.
Where can I buy ChemDiv2_006988?
You can request a quote for ChemDiv2_006988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006988?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.