(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid
TL;DR: (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid (CAS 499995-82-3) is a chemical compound with molecular formula C14H17Cl2NO4 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(2,3-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-(S)-3-Amino-3-(2,3-dichloro-phenyl)-propionic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid, Boc-?-Phe(2,3-DiCl)-OH, Boc-4-Hydroxy-L-b-phenylalanine, 6786AB
| Molecular Formula | C14H17Cl2NO4 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 4.0339 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.05347 |
| Heavy Atoms | 21 |
| Complexity | 540.2658 |
Chemical Identifiers
| CAS Number | 499995-82-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=C(C(=CC=C1)Cl)Cl |
Product Overview
(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid (CAS 499995-82-3), with molecular formula C14H17Cl2NO4 and molecular weight 333.05 g/mol. IUPAC: (3S)-3-(2,3-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid
Property Insights of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid
The XLogP value of 4.0339 indicates that (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid. Following Lipinski's Rule of Five, (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic 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)-3-(2,3-dichlorophenyl)propanoic acid?
The CAS number of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid is 499995-82-3.
What is the molecular formula of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid?
The molecular formula of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid is C14H17Cl2NO4.
What is the molecular weight of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid?
The molecular weight of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid is 333.05 g/mol.
Where can I buy (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid?
You can request a quote for (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic 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)-3-(2,3-dichlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.