2-chloroethyl N-carbamoylcarbamate
TL;DR: 2-chloroethyl N-carbamoylcarbamate (CAS 88795-43-1) is a chemical compound with molecular formula C4H7ClN2O3 and molecular weight 166.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-carbamoylcarbamate
Also Known As: 2-chloroethyl N-carbamoylcarbamate, NIOSH/EY8540220, Allophanic acid, 2-chloroethyl ester, 2-Chloroethyl (aminocarbonyl)carbamate, allophanic acid-(2-chloro-ethyl ester)
| Molecular Formula | C4H7ClN2O3 |
|---|---|
| Molecular Weight | 166.01 g/mol |
| LogP | 0.0301 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.01453 |
| Heavy Atoms | 10 |
| Complexity | 138.46439 |
Chemical Identifiers
| CAS Number | 88795-43-1 |
|---|---|
| SMILES | C(CCl)OC(=O)NC(=O)N |
Product Overview
2-chloroethyl N-carbamoylcarbamate (CAS 88795-43-1), with molecular formula C4H7ClN2O3 and molecular weight 166.01 g/mol. IUPAC: 2-chloroethyl N-carbamoylcarbamate.
Chemical Property Profile of 2-chloroethyl N-carbamoylcarbamate
Property Insights of 2-chloroethyl N-carbamoylcarbamate
The XLogP value of 0.0301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloroethyl N-carbamoylcarbamate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloroethyl N-carbamoylcarbamate. Following Lipinski's Rule of Five, 2-chloroethyl N-carbamoylcarbamate 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 2-chloroethyl N-carbamoylcarbamate?
The CAS number of 2-chloroethyl N-carbamoylcarbamate is 88795-43-1.
What is the molecular formula of 2-chloroethyl N-carbamoylcarbamate?
The molecular formula of 2-chloroethyl N-carbamoylcarbamate is C4H7ClN2O3.
What is the molecular weight of 2-chloroethyl N-carbamoylcarbamate?
The molecular weight of 2-chloroethyl N-carbamoylcarbamate is 166.01 g/mol.
Where can I buy 2-chloroethyl N-carbamoylcarbamate?
You can request a quote for 2-chloroethyl N-carbamoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloroethyl N-carbamoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloroethyl N-carbamoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.