N-tert-butyloxycarbonylalanine-4-nitrophenyl ester
TL;DR: N-tert-butyloxycarbonylalanine-4-nitrophenyl ester (CAS 2483-49-0) 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.
(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-Ala-ONp, BOC-D-ALA-ONP, Boc-Ala-4-nitrophenyl ester, Boc-D-alanine-4-nitrophenyl ester, Boc-L-alanine 4-nitrophenyl ester
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 2483-49-0 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | SUHFNHHZORGDFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butyloxycarbonylalanine-4-nitrophenyl ester (CAS 2483-49-0), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: (4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester
Property Insights of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyloxycarbonylalanine-4-nitrophenyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyloxycarbonylalanine-4-nitrophenyl ester. Following Lipinski's Rule of Five, N-tert-butyloxycarbonylalanine-4-nitrophenyl ester has 1 hydrogen bond donor(s) and 6 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 N-tert-butyloxycarbonylalanine-4-nitrophenyl ester?
The CAS number of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester is 2483-49-0.
What is the molecular formula of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester?
The molecular formula of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester is C14H18N2O6.
What is the molecular weight of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester?
The molecular weight of N-tert-butyloxycarbonylalanine-4-nitrophenyl ester is 310.12 g/mol.
Where can I buy N-tert-butyloxycarbonylalanine-4-nitrophenyl ester?
You can request a quote for N-tert-butyloxycarbonylalanine-4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyloxycarbonylalanine-4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyloxycarbonylalanine-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.