4-Benzyl-allophanic acid ethyl ester
TL;DR: 4-Benzyl-allophanic acid ethyl ester (CAS 401571-16-2) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(benzylcarbamoyl)carbamate
Also Known As: 4-benzyl-allophanic acid ethyl ester, ethyl N-(benzylcarbamoyl)carbamate
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.6423 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 351.5071 |
Chemical Identifiers
| CAS Number | 401571-16-2 |
|---|---|
| SMILES | CCOC(=O)NC(=O)NCC1=CC=CC=C1 |
Product Overview
4-Benzyl-allophanic acid ethyl ester (CAS 401571-16-2), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: ethyl N-(benzylcarbamoyl)carbamate.
Chemical Property Profile of 4-Benzyl-allophanic acid ethyl ester
Property Insights of 4-Benzyl-allophanic acid ethyl ester
The XLogP value of 1.6423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-allophanic acid ethyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-allophanic acid ethyl ester. Following Lipinski's Rule of Five, 4-Benzyl-allophanic acid ethyl ester has 2 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 4-Benzyl-allophanic acid ethyl ester?
The CAS number of 4-Benzyl-allophanic acid ethyl ester is 401571-16-2.
What is the molecular formula of 4-Benzyl-allophanic acid ethyl ester?
The molecular formula of 4-Benzyl-allophanic acid ethyl ester is C11H14N2O3.
What is the molecular weight of 4-Benzyl-allophanic acid ethyl ester?
The molecular weight of 4-Benzyl-allophanic acid ethyl ester is 222.10 g/mol.
Where can I buy 4-Benzyl-allophanic acid ethyl ester?
You can request a quote for 4-Benzyl-allophanic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-allophanic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-allophanic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.