(S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
TL;DR: (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid (CAS 269398-80-3) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid, Boc-beta-HPhe(2-Me)-OH, Boc-?-Homophe(2-Me)-OH, Boc-, A-HoPhe(2-Me)-OH
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.90552 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 505.2436 |
Chemical Identifiers
| CAS Number | 269398-80-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C |
Product Overview
(S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid (CAS 269398-80-3), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: (3S)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
Property Insights of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
The XLogP value of 2.90552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid. Following Lipinski's Rule of Five, (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic 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 (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid?
The CAS number of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid is 269398-80-3.
What is the molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid?
The molecular formula of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid is C16H23NO4.
What is the molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid?
The molecular weight of (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid is 293.16 g/mol.
Where can I buy (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid?
You can request a quote for (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.