![Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate structure](/static/products/821/82186-60-5.png)
Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate
TL;DR: Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate (CAS 82186-60-5) is a chemical compound with molecular formula C14H18ClNO3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-chloro-2-methyl-2-methylsulfanylpropanoyl)amino]benzoate
Also Known As: ethyl 4-(3-chloro-2-methyl-2-(methylthio)propanamido)benzoate, ethyl 4-[(3-chloro-2-methyl-2-methylsulfanylpropanoyl)amino]benzoate, ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate, 4-(3-Chloro-2-methyl-2-methylsulfanyl-propionylamino)-benzoic acid ethyl ester
| Molecular Formula | C14H18ClNO3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.1623 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.06958 |
| Heavy Atoms | 20 |
| Complexity | 471.8123 |
Chemical Identifiers
| CAS Number | 82186-60-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)(CCl)SC |
Product Overview
Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate (CAS 82186-60-5), with molecular formula C14H18ClNO3S and molecular weight 315.07 g/mol. IUPAC: ethyl 4-[(3-chloro-2-methyl-2-methylsulfanylpropanoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate
Property Insights of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate
The XLogP value of 3.1623 indicates that Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}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-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate 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 Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate?
The CAS number of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate is 82186-60-5.
What is the molecular formula of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate is C14H18ClNO3S.
What is the molecular weight of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate is 315.07 g/mol.
Where can I buy Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}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-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3-chloro-2-methyl-2-(methylsulfanyl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.