Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate
TL;DR: Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate (CAS 791797-08-5) is a chemical compound with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate
Also Known As: ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate, ethyl 4-chloro-3-[(2-ethylbutanoyl)amino]benzoate, AN-652/43161525
| Molecular Formula | C15H20ClNO3 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 3.8914 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.11316 |
| Heavy Atoms | 20 |
| Complexity | 484.00702 |
Chemical Identifiers
| CAS Number | 791797-08-5 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)OCC)Cl |
Product Overview
Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate (CAS 791797-08-5), with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol. IUPAC: ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate.
Chemical Property Profile of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate
Property Insights of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate
The XLogP value of 3.8914 indicates that Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate 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 Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate?
The CAS number of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate is 791797-08-5.
What is the molecular formula of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate?
The molecular formula of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate is C15H20ClNO3.
What is the molecular weight of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate?
The molecular weight of Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate is 297.11 g/mol.
Where can I buy Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate?
You can request a quote for Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-(2-ethylbutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.