2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate
TL;DR: 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate (CAS 100116-75-4) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-(phenylcarbamoyloxy)propanoate
Also Known As: 2-Chloroethyl Lactate Carbanilate, NCIOpen2_003624, 2-chloroethyl 2-(phenylcarbamoyloxy)propanoate, 2-chloroethyl 2-[(phenylcarbamoyl)oxy]propanoate
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 100116-75-4 |
|---|---|
| SMILES | CC(C(=O)OCCCl)OC(=O)NC1=CC=CC=C1 |
| InChIKey | FYYFIFFHDLIPFU-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate (CAS 100116-75-4), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: 2-chloroethyl 2-(phenylcarbamoyloxy)propanoate.
Chemical Property Profile of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate
Property Insights of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate. Following Lipinski's Rule of Five, 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate has 1 hydrogen bond donor(s) and 4 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 2-(phenylcarbamoyloxy)propanoate?
The CAS number of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate is 100116-75-4.
What is the molecular formula of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate?
The molecular formula of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate is C12H14ClNO4.
What is the molecular weight of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate?
The molecular weight of 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate is 271.06 g/mol.
Where can I buy 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate?
You can request a quote for 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-(phenylcarbamoyloxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.