Boc-beta-alanine 4-nitrophenyl ester
TL;DR: Boc-beta-alanine 4-nitrophenyl ester (CAS 17547-31-8) 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) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-beta-alanine 4-nitrophenyl ester, Boc-b-Ala-ONp, BOC-BETA-ALA-ONP, 6287AH, BOC-B-ALANINE 4-NITROPHENYL ESTER
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.415 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 547.44666 |
Chemical Identifiers
| CAS Number | 17547-31-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Boc-beta-alanine 4-nitrophenyl ester (CAS 17547-31-8), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: (4-nitrophenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Boc-beta-alanine 4-nitrophenyl ester
Property Insights of Boc-beta-alanine 4-nitrophenyl ester
The XLogP value of 2.415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-beta-alanine 4-nitrophenyl ester. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-beta-alanine 4-nitrophenyl ester. Following Lipinski's Rule of Five, Boc-beta-alanine 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 Boc-beta-alanine 4-nitrophenyl ester?
The CAS number of Boc-beta-alanine 4-nitrophenyl ester is 17547-31-8.
What is the molecular formula of Boc-beta-alanine 4-nitrophenyl ester?
The molecular formula of Boc-beta-alanine 4-nitrophenyl ester is C14H18N2O6.
What is the molecular weight of Boc-beta-alanine 4-nitrophenyl ester?
The molecular weight of Boc-beta-alanine 4-nitrophenyl ester is 310.12 g/mol.
Where can I buy Boc-beta-alanine 4-nitrophenyl ester?
You can request a quote for Boc-beta-alanine 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 Boc-beta-alanine 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boc-beta-alanine 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.