Boc-Asn-o-nitrophenyl ester
TL;DR: Boc-Asn-o-nitrophenyl ester (CAS 38605-58-2) is a chemical compound with molecular formula C15H19N3O7 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
Also Known As: Boc-Asn-o-nitrophenyl ester, Boc-L-Asn-ONO, Boc-Asn-OPh(2-NO2), Nalpha-Boc-L-asparagine 2-nitrophenyl ester, (2-nitrophenyl) (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
| Molecular Formula | C15H19N3O7 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 1.2689 |
| Topological Polar Surface Area | 150.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1223 |
| Heavy Atoms | 25 |
| Complexity | 681.9477 |
Chemical Identifiers
| CAS Number | 38605-58-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)OC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Boc-Asn-o-nitrophenyl ester (CAS 38605-58-2), with molecular formula C15H19N3O7 and molecular weight 353.12 g/mol. IUPAC: (2-nitrophenyl) (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate.
Chemical Property Profile of Boc-Asn-o-nitrophenyl ester
Property Insights of Boc-Asn-o-nitrophenyl ester
The XLogP value of 1.2689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-Asn-o-nitrophenyl ester. The TPSA of 150.86 Ų indicates high polarity, suggesting Boc-Asn-o-nitrophenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Asn-o-nitrophenyl ester has 2 hydrogen bond donor(s) and 7 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-Asn-o-nitrophenyl ester?
The CAS number of Boc-Asn-o-nitrophenyl ester is 38605-58-2.
What is the molecular formula of Boc-Asn-o-nitrophenyl ester?
The molecular formula of Boc-Asn-o-nitrophenyl ester is C15H19N3O7.
What is the molecular weight of Boc-Asn-o-nitrophenyl ester?
The molecular weight of Boc-Asn-o-nitrophenyl ester is 353.12 g/mol.
Where can I buy Boc-Asn-o-nitrophenyl ester?
You can request a quote for Boc-Asn-o-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-Asn-o-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boc-Asn-o-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.