ChemDiv2_006728
TL;DR: ChemDiv2_006728 (CAS 847384-00-3) is a chemical compound with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]butanoate
Also Known As: ChemDiv2_006728, IDI1_005443, F0656-0520, methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)butanoate, methyl 2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]butanoate
| Molecular Formula | C16H16ClN5O3 |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 1.8138 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.09418 |
| Heavy Atoms | 25 |
| Complexity | 964.0558 |
Chemical Identifiers
| CAS Number | 847384-00-3 |
|---|---|
| SMILES | CCC(C(=O)OC)N1C=NC2=C(C1=O)N=NN2CC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv2_006728 (CAS 847384-00-3), with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol. IUPAC: methyl 2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]butanoate.
Chemical Property Profile of ChemDiv2_006728
Property Insights of ChemDiv2_006728
The XLogP value of 1.8138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006728. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006728. Following Lipinski's Rule of Five, ChemDiv2_006728 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 ChemDiv2_006728?
The CAS number of ChemDiv2_006728 is 847384-00-3.
What is the molecular formula of ChemDiv2_006728?
The molecular formula of ChemDiv2_006728 is C16H16ClN5O3.
What is the molecular weight of ChemDiv2_006728?
The molecular weight of ChemDiv2_006728 is 361.09 g/mol.
Where can I buy ChemDiv2_006728?
You can request a quote for ChemDiv2_006728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006728?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.