(2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
TL;DR: (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid (CAS 4125-97-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
Also Known As: Z-N-Me-Ile-OH, N-Cbz-N-methyl-L-isoleucine, Cbz-N-Me-Ile-OH, (2S,3S)-2-(((BENZYLOXY)CARBONYL)(METHYL)AMINO)-3-METHYLPENTANOIC ACID, Z-L-MeIle-OH
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.7543 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 446.44656 |
Chemical Identifiers
| CAS Number | 4125-97-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OCC1=CC=CC=C1 |
Product Overview
(2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid (CAS 4125-97-7), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: (2S,3S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid.
Chemical Property Profile of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
Property Insights of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
The XLogP value of 2.7543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid has 1 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 (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid?
The CAS number of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid is 4125-97-7.
What is the molecular formula of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid?
The molecular formula of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid is C15H21NO4.
What is the molecular weight of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid?
The molecular weight of (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid is 279.15 g/mol.
Where can I buy (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid?
You can request a quote for (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-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-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.