2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid
TL;DR: 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid (CAS 6297-76-3) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylcarbonylamino)-4-methylpentanoic acid
Also Known As: N-[(Benzylsulfanyl)carbonyl]leucine, 2-(benzylsulfanylcarbonylamino)-4-methylpentanoic acid, 2-(benzylsulfanylcarbonylamino)-4-methyl-pentanoic Acid
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.1287 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 419.95908 |
Chemical Identifiers
| CAS Number | 6297-76-3 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NC(=O)SCC1=CC=CC=C1 |
Product Overview
2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid (CAS 6297-76-3), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: 2-(benzylsulfanylcarbonylamino)-4-methylpentanoic acid.
Chemical Property Profile of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid
Property Insights of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid
The XLogP value of 3.1287 indicates that 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic 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-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic 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-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid?
The CAS number of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid is 6297-76-3.
What is the molecular formula of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid?
The molecular formula of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid is C14H19NO3S.
What is the molecular weight of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid?
The molecular weight of 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid is 281.11 g/mol.
Where can I buy 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid?
You can request a quote for 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanylcarbonylamino)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.