ChemDiv3_010323
TL;DR: ChemDiv3_010323 (CAS 847386-41-8) is a chemical compound with molecular formula C19H14ClN5O3 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: ChemDiv3_010323, BRD-K45516207-001-01-6, 6-(2-(4-chlorophenyl)-2-oxoethyl)-3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, F0656-1049
| Molecular Formula | C19H14ClN5O3 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 2.5221 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.07852 |
| Heavy Atoms | 28 |
| Complexity | 1230.5369 |
Chemical Identifiers
| CAS Number | 847386-41-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl)N=N2 |
Product Overview
ChemDiv3_010323 (CAS 847386-41-8), with molecular formula C19H14ClN5O3 and molecular weight 395.08 g/mol. IUPAC: 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of ChemDiv3_010323
Property Insights of ChemDiv3_010323
The XLogP value of 2.5221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010323. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010323. Following Lipinski's Rule of Five, ChemDiv3_010323 has 0 hydrogen bond donor(s) and 6 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_010323?
The CAS number of ChemDiv3_010323 is 847386-41-8.
What is the molecular formula of ChemDiv3_010323?
The molecular formula of ChemDiv3_010323 is C19H14ClN5O3.
What is the molecular weight of ChemDiv3_010323?
The molecular weight of ChemDiv3_010323 is 395.08 g/mol.
Where can I buy ChemDiv3_010323?
You can request a quote for ChemDiv3_010323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010323?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.