![Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate structure](/static/products/1396/1396962-86-9.webp)
Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate
TL;DR: Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate (CAS 1396962-86-9) is a chemical compound with molecular formula C21H22N4O8 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate
Also Known As: methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate, methyl 2,6-bis(4-nitrobenzamido)hexanoate, methyl 2,6-bis({4-nitrobenzoyl}amino)hexanoate, J3.599.465C, methyl N~2~,N~6~-bis(4-nitrobenzoyl)lysinate
| Molecular Formula | C21H22N4O8 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 2.3747 |
| Topological Polar Surface Area | 170.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.14377 |
| Heavy Atoms | 33 |
| Complexity | 1021.5651 |
Chemical Identifiers
| CAS Number | 1396962-86-9 |
|---|---|
| SMILES | COC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate (CAS 1396962-86-9), with molecular formula C21H22N4O8 and molecular weight 458.14 g/mol. IUPAC: methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate.
Chemical Property Profile of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate
Property Insights of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate
The XLogP value of 2.3747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate. The TPSA of 170.78 Ų indicates high polarity, suggesting Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate has 2 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 Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate?
The CAS number of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate is 1396962-86-9.
What is the molecular formula of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate?
The molecular formula of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate is C21H22N4O8.
What is the molecular weight of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate?
The molecular weight of Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate is 458.14 g/mol.
Where can I buy Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate?
You can request a quote for Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.