2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid
TL;DR: 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid (CAS 136581-57-2) is a chemical compound with molecular formula C15H19F2NO5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: starbld0009081, 2-((tert-Butoxycarbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid, N-alpha-t-Butyloxycarbonyl-O-difluoromethyl-L-tyrosine //, 3-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 2-(Boc-amino)-3-[4-(difluoromethoxy)phenyl]propanoic Acid
| Molecular Formula | C15H19F2NO5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.8084 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.12314 |
| Heavy Atoms | 23 |
| Complexity | 539.7934 |
Chemical Identifiers
| CAS Number | 136581-57-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC(F)F)C(=O)O |
Product Overview
2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid (CAS 136581-57-2), with molecular formula C15H19F2NO5 and molecular weight 331.12 g/mol. IUPAC: 3-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid
Property Insights of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid
The XLogP value of 2.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid?
The CAS number of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid is 136581-57-2.
What is the molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid?
The molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid is C15H19F2NO5.
What is the molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid?
The molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid is 331.12 g/mol.
Where can I buy 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid?
You can request a quote for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)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-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Tert-butoxy)carbonyl)amino)-3-(4-(difluoromethoxy)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.