(2S,3S)-2-(benzoylamino)-3-methylpentanoic acid
TL;DR: (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid (CAS 2901-99-7) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-benzamido-3-methylpentanoic acid
Also Known As: Benzoylisoleucin, benzoyl-L-isoleucine, n-benzoyl-isoleucine, 2-Benzoyl-isoindolin, L-Isoleucine,N-benzoyl-
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.9157 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 388.91086 |
Chemical Identifiers
| CAS Number | 2901-99-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1 |
Product Overview
(2S,3S)-2-(benzoylamino)-3-methylpentanoic acid (CAS 2901-99-7), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2S,3S)-2-benzamido-3-methylpentanoic acid.
Chemical Property Profile of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid
Property Insights of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid
The XLogP value of 1.9157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid has 2 hydrogen bond donor(s) and 2 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,3S)-2-(benzoylamino)-3-methylpentanoic acid?
The CAS number of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid is 2901-99-7.
What is the molecular formula of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid?
The molecular formula of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid is C13H17NO3.
What is the molecular weight of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid?
The molecular weight of (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid is 235.12 g/mol.
Where can I buy (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid?
You can request a quote for (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-(benzoylamino)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.