![4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid structure](/static/products/5565/55652-31-8.webp)
4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid
TL;DR: 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid (CAS 55652-31-8) is a chemical compound with molecular formula C15H21NO6S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
Also Known As: 4-(methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid, 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic Acid, 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid, 4-methylthio-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid, 4-(methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoicacid
| Molecular Formula | C15H21NO6S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 1.6485 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.10895 |
| Heavy Atoms | 23 |
| Complexity | 537.89325 |
Chemical Identifiers
| CAS Number | 55652-31-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)O |
Product Overview
4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid (CAS 55652-31-8), with molecular formula C15H21NO6S and molecular weight 343.11 g/mol. IUPAC: 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid.
Chemical Property Profile of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid
Property Insights of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid
The XLogP value of 1.6485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid has 2 hydrogen bond donor(s) and 6 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 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid?
The CAS number of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid is 55652-31-8.
What is the molecular formula of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid?
The molecular formula of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid is C15H21NO6S.
What is the molecular weight of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid?
The molecular weight of 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid is 343.11 g/mol.
Where can I buy 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid?
You can request a quote for 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.