2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
TL;DR: 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate (CAS 23614-22-4) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
Also Known As: 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate, 2-CHLOROETHYL 2-{[(AZEPAN-1-YL)CARBAMOYL]AMINO}BENZOATE
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 23614-22-4 |
|---|---|
| SMILES | C1CCCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OCCCl |
| InChIKey | QYVNNQFFWGUNFE-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate (CAS 23614-22-4), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate.
Chemical Property Profile of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
Property Insights of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate
The XLogP value of 3.4 indicates that 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate. Following Lipinski's Rule of Five, 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate has 2 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-(azepan-1-ylcarbamoylamino)benzoate?
The CAS number of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate is 23614-22-4.
What is the molecular formula of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate?
The molecular formula of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate is C16H22ClN3O3.
What is the molecular weight of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate?
The molecular weight of 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate is 339.13 g/mol.
Where can I buy 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate?
You can request a quote for 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate 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-(azepan-1-ylcarbamoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.