![(2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid structure](/static/products/937/93709-68-3.png)
(2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
TL;DR: (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid (CAS 93709-68-3) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
Also Known As: N-(3,4,5-trimethoxybenzoyl)valine, (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid, (2S)-3-methyl-2-[(3,4,5-trimethoxyphenyl)formamido]butanoic acid, (S)-3-methyl-2-(3,4,5-trimethoxybenzamido)butanoic acid, 3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 93709-68-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | QTUHHHIOMGXNRY-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid (CAS 93709-68-3), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
Property Insights of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]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 (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid?
The CAS number of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid is 93709-68-3.
What is the molecular formula of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid?
The molecular formula of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid is C15H21NO6.
What is the molecular weight of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid?
The molecular weight of (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid is 311.14 g/mol.
Where can I buy (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid?
You can request a quote for (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.