Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
TL;DR: Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate (CAS 69123-50-8) is a chemical compound with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
Also Known As: Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate, Ethyl 4-{[(2H-tetrazol-5-yl)carbamoyl]amino}benzoate
| Molecular Formula | C11H12N6O3 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.0204 |
| Topological Polar Surface Area | 121.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09708 |
| Heavy Atoms | 20 |
| Complexity | 580.71576 |
Chemical Identifiers
| CAS Number | 69123-50-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NNN=N2 |
Product Overview
Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate (CAS 69123-50-8), with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol. IUPAC: ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate.
Chemical Property Profile of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
Property Insights of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
The XLogP value of 1.0204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate. The TPSA of 121.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate has 3 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-(2H-tetrazol-5-ylcarbamoylamino)benzoate?
The CAS number of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate is 69123-50-8.
What is the molecular formula of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate?
The molecular formula of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate is C11H12N6O3.
What is the molecular weight of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate?
The molecular weight of Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate is 276.10 g/mol.
Where can I buy Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate?
You can request a quote for Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)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-(2H-tetrazol-5-ylcarbamoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.