Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate
TL;DR: Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate (CAS 300394-72-3) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(benzimidazol-1-ylmethyl)carbamate
Also Known As: starbld0010173, Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate, ethyl N-(benzimidazol-1-ylmethyl)carbamate, Ethyl N-(benzoimidazol-1-ylmethyl)carbamate, Ethyl ((1H-benzo[d]imidazol-1-yl)methyl)carbamate
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.7399 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 492.69025 |
Chemical Identifiers
| CAS Number | 300394-72-3 |
|---|---|
| SMILES | CCOC(=O)NCN1C=NC2=CC=CC=C21 |
Product Overview
Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate (CAS 300394-72-3), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: ethyl N-(benzimidazol-1-ylmethyl)carbamate.
Chemical Property Profile of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate
Property Insights of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate
The XLogP value of 1.7399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate. With a topological polar surface area (TPSA) of 56.15 Ų, Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate has 1 hydrogen bond donor(s) and 3 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 N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate?
The CAS number of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate is 300394-72-3.
What is the molecular formula of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate?
The molecular formula of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate is C11H13N3O2.
What is the molecular weight of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate?
The molecular weight of Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate is 219.10 g/mol.
Where can I buy Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate?
You can request a quote for Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(1H-1,3-benzodiazol-1-ylmethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.