1-Ethoxycarbonylbenzotriazol
TL;DR: 1-Ethoxycarbonylbenzotriazol (CAS 830-67-1) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzotriazole-1-carboxylate
Also Known As: 1-Ethoxycarbonylbenzotriazol, starbld0047556, Ethyl Benzotriazole-1-carboxylate, 1H-Benzotriazole-1-carboxylic acid ethyl ester, benzotriazole-1-carboxylic acid ethyl ester
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.4359 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 463.77994 |
Chemical Identifiers
| CAS Number | 830-67-1 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
1-Ethoxycarbonylbenzotriazol (CAS 830-67-1), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: ethyl benzotriazole-1-carboxylate.
Chemical Property Profile of 1-Ethoxycarbonylbenzotriazol
Property Insights of 1-Ethoxycarbonylbenzotriazol
The XLogP value of 1.4359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxycarbonylbenzotriazol. With a topological polar surface area (TPSA) of 57.01 Ų, 1-Ethoxycarbonylbenzotriazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxycarbonylbenzotriazol has 0 hydrogen bond donor(s) and 4 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 1-Ethoxycarbonylbenzotriazol?
The CAS number of 1-Ethoxycarbonylbenzotriazol is 830-67-1.
What is the molecular formula of 1-Ethoxycarbonylbenzotriazol?
The molecular formula of 1-Ethoxycarbonylbenzotriazol is C9H9N3O2.
What is the molecular weight of 1-Ethoxycarbonylbenzotriazol?
The molecular weight of 1-Ethoxycarbonylbenzotriazol is 191.07 g/mol.
Where can I buy 1-Ethoxycarbonylbenzotriazol?
You can request a quote for 1-Ethoxycarbonylbenzotriazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxycarbonylbenzotriazol?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxycarbonylbenzotriazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.