![Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate structure](/static/products/4323/4323-05-1.webp)
Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate (CAS 4323-05-1) is a chemical compound with molecular formula C16H14ClN5O3 and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate
Also Known As: NCIOpen2_008758, ethyl4-[[2- acetyl]amino]benzoate, ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate, Ethyl 4-[2-(6-chloro-9H-purin-9-yl)acetamido]benzoate, ethyl 4-{[(6-chloro-9h-purin-9-yl)acetyl]amino}benzoate
| Molecular Formula | C16H14ClN5O3 |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.07852 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 4323-05-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3Cl |
| InChIKey | AKLIFWFHHHNJCR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate (CAS 4323-05-1), with molecular formula C16H14ClN5O3 and molecular weight 359.08 g/mol. IUPAC: ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate has 1 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 Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate is 4323-05-1.
What is the molecular formula of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate is C16H14ClN5O3.
What is the molecular weight of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate is 359.08 g/mol.
Where can I buy Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.