![methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate structure](/static/products/847/847384-01-4.png)
methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate
TL;DR: methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate (CAS 847384-01-4) is a chemical compound with molecular formula C15H14ClN5O3 and molecular weight 347.08 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]propanoate
Also Known As: methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate, methyl 2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]propanoate, methyl 2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]propanoate, METHYL 2-{3-[(4-CHLOROPHENYL)METHYL]-7-OXO-3H,6H,7H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-6-YL}PROPANOATE
| Molecular Formula | C15H14ClN5O3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 1.4237 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.07852 |
| Heavy Atoms | 24 |
| Complexity | 947.89307 |
Chemical Identifiers
| CAS Number | 847384-01-4 |
|---|---|
| SMILES | CC(C(=O)OC)N1C=NC2=C(C1=O)N=NN2CC3=CC=C(C=C3)Cl |
Product Overview
methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate (CAS 847384-01-4), with molecular formula C15H14ClN5O3 and molecular weight 347.08 g/mol. IUPAC: methyl 2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]propanoate.
Chemical Property Profile of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate
Property Insights of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate
The XLogP value of 1.4237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate. Following Lipinski's Rule of Five, methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate 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 methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate?
The CAS number of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate is 847384-01-4.
What is the molecular formula of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate?
The molecular formula of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate is C15H14ClN5O3.
What is the molecular weight of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate?
The molecular weight of methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate is 347.08 g/mol.
Where can I buy methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate?
You can request a quote for methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-chlorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.