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[3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
TL;DR: [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate (CAS 55791-82-7) is a chemical compound with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
Also Known As: [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate|3-Propanamidophenyl (2-chloroethyl)carbamate|CARBAMIC ACID,(2-CHLOROETHYL)-, 3-[(1-OXOPROPYL)AMINO]PHENYL ESTER (9CI)
| Molecular Formula | C12H15ClN2O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.07712 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 55791-82-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC(=CC=C1)OC(=O)NCCCl |
| InChIKey | RHRGXDDPFNORDS-UHFFFAOYSA-N |
Product Overview
[3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate (CAS 55791-82-7), with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol. IUPAC: [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate.
Chemical Property Profile of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
Property Insights of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate. Following Lipinski's Rule of Five, [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate 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 [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate?
The CAS number of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate is 55791-82-7.
What is the molecular formula of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate?
The molecular formula of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate is C12H15ClN2O3.
What is the molecular weight of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate?
The molecular weight of [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate is 270.08 g/mol.
Where can I buy [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate?
You can request a quote for [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.