![methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate structure](/static/products/1360/13602-64-7.webp)
methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
TL;DR: methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate (CAS 13602-64-7) is a chemical compound with molecular formula C21H21N3O9 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Also Known As: methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate, methyl 3-{[(benzyloxy)carbonyl]amino}-4-{[2-(4-nitrophenoxy)-2-oxoethyl]amino}-4-oxobutanoate(non-preferred name), Methyl 3-{[(benzyloxy)carbonyl]amino}-4-{[2-(4-nitrophenoxy)-2-oxoethyl]amino}-4-oxobutanoate
| Molecular Formula | C21H21N3O9 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 459.12778 |
| Heavy Atoms | 33 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 13602-64-7 |
|---|---|
| SMILES | COC(=O)CC(C(=O)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PQJRULKCNHNVEI-UHFFFAOYSA-N |
Product Overview
methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate (CAS 13602-64-7), with molecular formula C21H21N3O9 and molecular weight 459.13 g/mol. IUPAC: methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Property Insights of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate. The TPSA of 166.0 Ų indicates high polarity, suggesting methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate has 2 hydrogen bond donor(s) and 9 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 methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The CAS number of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is 13602-64-7.
What is the molecular formula of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is C21H21N3O9.
What is the molecular weight of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is 459.13 g/mol.
Where can I buy methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.