ChemDiv2_006772
TL;DR: ChemDiv2_006772 (CAS 847384-87-6) is a chemical compound with molecular formula C20H17ClN6O4 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: ChemDiv2_006772, IDI1_005487, 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide, F0656-0880, 2-(3-(3-chlorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(2,4-dimethoxyphenyl)acetamide
| Molecular Formula | C20H17ClN6O4 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 2.2865 |
| Topological Polar Surface Area | 113.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.09998 |
| Heavy Atoms | 31 |
| Complexity | 1332.997 |
Chemical Identifiers
| CAS Number | 847384-87-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)Cl)OC |
Product Overview
ChemDiv2_006772 (CAS 847384-87-6), with molecular formula C20H17ClN6O4 and molecular weight 440.10 g/mol. IUPAC: 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv2_006772
Property Insights of ChemDiv2_006772
The XLogP value of 2.2865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006772. The TPSA of 113.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006772. Following Lipinski's Rule of Five, ChemDiv2_006772 has 1 hydrogen bond donor(s) and 7 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_006772?
The CAS number of ChemDiv2_006772 is 847384-87-6.
What is the molecular formula of ChemDiv2_006772?
The molecular formula of ChemDiv2_006772 is C20H17ClN6O4.
What is the molecular weight of ChemDiv2_006772?
The molecular weight of ChemDiv2_006772 is 440.10 g/mol.
Where can I buy ChemDiv2_006772?
You can request a quote for ChemDiv2_006772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006772?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.