3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
TL;DR: 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid (CAS 500770-85-4) is a chemical compound with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
Also Known As: 6-bromobenzo[d]oxazole, 3-TERT-BUTOXYCARBONYLAMINO-3-(4-NITRO-PHENYL)-PROPIONIC ACID, 3-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid, Boc-3-amino-3-(4-nitrophenyl)propionic acid, 3-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.6353 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 561.691 |
Chemical Identifiers
| CAS Number | 500770-85-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid (CAS 500770-85-4), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid.
Chemical Property Profile of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
Property Insights of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
The XLogP value of 2.6353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid. Following Lipinski's Rule of Five, 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid has 2 hydrogen bond donor(s) and 5 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 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The CAS number of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is 500770-85-4.
What is the molecular formula of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The molecular formula of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is C14H18N2O6.
What is the molecular weight of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The molecular weight of 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is 310.12 g/mol.
Where can I buy 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
You can request a quote for 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.