Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate
TL;DR: Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate (CAS 313403-18-8) is a chemical compound with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-3-(3-cyclohexylpropanoylamino)benzoate
Also Known As: methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate, methyl 4-chloro-3-(3-cyclohexylpropanoylamino)benzoate, AF-399/42238550, VU0513428-1, F3218-0020
| Molecular Formula | C17H22ClNO3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 4.4256 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1288 |
| Heavy Atoms | 22 |
| Complexity | 538.7056 |
Chemical Identifiers
| CAS Number | 313403-18-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCC2CCCCC2 |
Product Overview
Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate (CAS 313403-18-8), with molecular formula C17H22ClNO3 and molecular weight 323.13 g/mol. IUPAC: methyl 4-chloro-3-(3-cyclohexylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate
Property Insights of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate
The XLogP value of 4.4256 indicates that Methyl 4-chloro-3-(3-cyclohexylpropanamido)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, Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-3-(3-cyclohexylpropanamido)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 Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate?
The CAS number of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate is 313403-18-8.
What is the molecular formula of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate?
The molecular formula of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate is C17H22ClNO3.
What is the molecular weight of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate?
The molecular weight of Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate is 323.13 g/mol.
Where can I buy Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate?
You can request a quote for Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-3-(3-cyclohexylpropanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.