2-Chloro-2-phenylethyl allophanate
TL;DR: 2-Chloro-2-phenylethyl allophanate (CAS 56979-88-5) is a chemical compound with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-carbamoyl-N-(2-chlorophenyl)carbamate
Also Known As: SCS 100, 2-Chloro-2-phenylethyl allophanate, 2-(2-Chlorophenyl)allophanic acid ethyl ester, Ethyl 2-(o-chlorophenyl)allophanate, ethyl N-carbamoyl-N-(2-chlorophenyl)carbamate
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 56979-88-5 |
|---|---|
| SMILES | CCOC(=O)N(C1=CC=CC=C1Cl)C(=O)N |
| InChIKey | DIPOJLBMCDRHCA-UHFFFAOYSA-N |
Product Overview
2-Chloro-2-phenylethyl allophanate (CAS 56979-88-5), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: ethyl N-carbamoyl-N-(2-chlorophenyl)carbamate.
Chemical Property Profile of 2-Chloro-2-phenylethyl allophanate
Property Insights of 2-Chloro-2-phenylethyl allophanate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-phenylethyl allophanate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2-phenylethyl allophanate. Following Lipinski's Rule of Five, 2-Chloro-2-phenylethyl 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 2-Chloro-2-phenylethyl allophanate?
The CAS number of 2-Chloro-2-phenylethyl allophanate is 56979-88-5.
What is the molecular formula of 2-Chloro-2-phenylethyl allophanate?
The molecular formula of 2-Chloro-2-phenylethyl allophanate is C10H11ClN2O3.
What is the molecular weight of 2-Chloro-2-phenylethyl allophanate?
The molecular weight of 2-Chloro-2-phenylethyl allophanate is 242.05 g/mol.
Where can I buy 2-Chloro-2-phenylethyl allophanate?
You can request a quote for 2-Chloro-2-phenylethyl allophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-phenylethyl allophanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-phenylethyl allophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.