2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid
TL;DR: 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid (CAS 5398-45-8) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-benzylsulfanyl-3-methylbutanoic acid
Also Known As: N-Benzoyl-3-(benzylsulfanyl)valine, 2-benzamido-3-benzylsulfanyl-3-methylbutanoic acid, 2-benzamido-3-benzylsulfanyl-3-methyl-butanoic Acid
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.5816 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 686.27277 |
Chemical Identifiers
| CAS Number | 5398-45-8 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1)SCC2=CC=CC=C2 |
Product Overview
2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid (CAS 5398-45-8), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: 2-benzamido-3-benzylsulfanyl-3-methylbutanoic acid.
Chemical Property Profile of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid
Property Insights of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid
The XLogP value of 3.5816 indicates that 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid has 2 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 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid?
The CAS number of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid is 5398-45-8.
What is the molecular formula of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid?
The molecular formula of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid is C19H21NO3S.
What is the molecular weight of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid?
The molecular weight of 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid is 343.12 g/mol.
Where can I buy 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid?
You can request a quote for 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzamido-3-benzylsulfanyl-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.