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Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate
TL;DR: Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate (CAS 693798-39-9) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate
Also Known As: methyl 4-(3-(p-tolylthio)propanamido)benzoate, methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate, methyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.90252 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 665.67096 |
Chemical Identifiers
| CAS Number | 693798-39-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate (CAS 693798-39-9), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: methyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate.
Chemical Property Profile of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate
Property Insights of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate
The XLogP value of 3.90252 indicates that Methyl 4-({3-[(4-methylphenyl)sulfanyl]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, Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-({3-[(4-methylphenyl)sulfanyl]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 Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate?
The CAS number of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate is 693798-39-9.
What is the molecular formula of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate?
The molecular formula of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate is C18H19NO3S.
What is the molecular weight of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate?
The molecular weight of Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate is 329.11 g/mol.
Where can I buy Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate?
You can request a quote for Methyl 4-({3-[(4-methylphenyl)sulfanyl]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 Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.