2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid
TL;DR: 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid (CAS 80102-25-6) is a chemical compound with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-D-phe(3-Cl)-OH, Boc-D-3-Chlorophe, Boc-3-chloro-D-phenylalanine, BOC-3-CHLORO-DL-PHENYLALANINE, BOC-PHE(3-CL)-OH
| Molecular Formula | C14H18ClNO4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.8604 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.09244 |
| Heavy Atoms | 20 |
| Complexity | 496.1924 |
Chemical Identifiers
| CAS Number | 80102-25-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C(=O)O |
Product Overview
2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid (CAS 80102-25-6), with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid
Property Insights of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid
The XLogP value of 2.8604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)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 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid is 80102-25-6.
What is the molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid is C14H18ClNO4.
What is the molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid is 299.09 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.