1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester
TL;DR: 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester (CAS 64300-46-5) is a chemical compound with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(4-chlorophenyl)tetrazol-1-yl]acetate
Also Known As: ethyl 2-[5-(4-chlorophenyl)tetrazol-1-yl]acetate, 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester, 5-p-Chlorphenyltetrazol-1-ylessigsaeureaethylester, Ethyl [5-(4-chlorophenyl)-1H-tetrazol-1-yl]acetate, (5-(4-CHLORO-PHENYL)-TETRAZOL-1-YL)-ACETIC ACID ETHYL ESTER
| Molecular Formula | C11H11ClN4O2 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.05707 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 64300-46-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NN=N1)C2=CC=C(C=C2)Cl |
| InChIKey | CJBVZEDZCJLNTP-UHFFFAOYSA-N |
Product Overview
1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester (CAS 64300-46-5), with molecular formula C11H11ClN4O2 and molecular weight 266.06 g/mol. IUPAC: ethyl 2-[5-(4-chlorophenyl)tetrazol-1-yl]acetate.
Chemical Property Profile of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester
Property Insights of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester?
The CAS number of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester is 64300-46-5.
What is the molecular formula of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester?
The molecular formula of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester is C11H11ClN4O2.
What is the molecular weight of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester?
The molecular weight of 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester is 266.06 g/mol.
Where can I buy 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester?
You can request a quote for 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Tetrazole-1-acetic acid, 5-(4-chlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.