O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate
TL;DR: O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate (CAS 29365-05-7) is a chemical compound with molecular formula C19H26N2O8 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 1-O-(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Also Known As: Boc-Asp(OtBu)-ONp, NCI60_024397, 4-tert-butyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)aspartate, 4-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate, O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate
| Molecular Formula | C19H26N2O8 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.1689 |
| Heavy Atoms | 29 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 29365-05-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | PHQSQVFTGWZWKF-UHFFFAOYSA-N |
Product Overview
O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate (CAS 29365-05-7), with molecular formula C19H26N2O8 and molecular weight 410.17 g/mol. IUPAC: 4-O-tert-butyl 1-O-(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate.
Chemical Property Profile of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate
Property Insights of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate
The XLogP value of 3.1 indicates that O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate. Following Lipinski's Rule of Five, O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate has 1 hydrogen bond donor(s) and 8 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 O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate?
The CAS number of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate is 29365-05-7.
What is the molecular formula of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate?
The molecular formula of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate is C19H26N2O8.
What is the molecular weight of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate?
The molecular weight of O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate is 410.17 g/mol.
Where can I buy O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate?
You can request a quote for O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for O4-tert-butyl O1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.