(S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
TL;DR: (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 16948-40-6) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: Boc-Val-ONp, Boc-L-Val-ONp, Boc-L-Valine 4-nitrophenyl ester, (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, 8687AA
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 3.0495 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 603.98883 |
Chemical Identifiers
| CAS Number | 16948-40-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
Product Overview
(S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 16948-40-6), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: (4-nitrophenyl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
Property Insights of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
The XLogP value of 3.0495 indicates that (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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 (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The CAS number of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 16948-40-6.
What is the molecular formula of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular formula of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is C16H22N2O6.
What is the molecular weight of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular weight of (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 338.15 g/mol.
Where can I buy (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
You can request a quote for (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.