Ethyl phenyl allophanate
TL;DR: Ethyl phenyl allophanate (CAS 35104-18-8) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-carbamoyl-N-phenylcarbamate
Also Known As: Ethyl phenyl allophanate, Ethyl 2-phenylallophanate, 2-Phenylallophanic acid ethyl ester, Phenyl-2 allophanate d'ethyle, ethyl carbamoyl(phenyl)carbamate
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 35104-18-8 |
|---|---|
| SMILES | CCOC(=O)N(C1=CC=CC=C1)C(=O)N |
| InChIKey | VCGUVRCFKLUCRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl phenyl allophanate (CAS 35104-18-8), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: ethyl N-carbamoyl-N-phenylcarbamate.
Chemical Property Profile of Ethyl phenyl allophanate
Property Insights of Ethyl phenyl allophanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl phenyl allophanate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl phenyl allophanate. Following Lipinski's Rule of Five, Ethyl phenyl allophanate 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 phenyl allophanate?
The CAS number of Ethyl phenyl allophanate is 35104-18-8.
What is the molecular formula of Ethyl phenyl allophanate?
The molecular formula of Ethyl phenyl allophanate is C10H12N2O3.
What is the molecular weight of Ethyl phenyl allophanate?
The molecular weight of Ethyl phenyl allophanate is 208.08 g/mol.
Where can I buy Ethyl phenyl allophanate?
You can request a quote for Ethyl phenyl allophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl phenyl allophanate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl phenyl allophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.