N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine
TL;DR: N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine (CAS 98586-86-8) is a chemical compound with molecular formula C26H32ClN3O8 and molecular weight 549.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
Also Known As: N,N-Bnpca, 8-Amtpq, KST-1B9530, N,N-Bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine, 1,1'-{[(2-chloroethyl)imino]bis[ethane-2,1-diyloxy(5-nitrobenzene-2,1-diyl)]}dibutan-1-one
| Molecular Formula | C26H32ClN3O8 |
|---|---|
| Molecular Weight | 549.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 549.1878 |
| Heavy Atoms | 38 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 98586-86-8 |
|---|---|
| SMILES | CCCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCN(CCOC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)CCC)CCCl |
| InChIKey | MABZQQHUDRSYLS-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine (CAS 98586-86-8), with molecular formula C26H32ClN3O8 and molecular weight 549.19 g/mol. IUPAC: 1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one.
Chemical Property Profile of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine
Property Insights of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine
The XLogP value of 4.9 indicates that N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine?
The CAS number of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine is 98586-86-8.
What is the molecular formula of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine?
The molecular formula of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine is C26H32ClN3O8.
What is the molecular weight of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine?
The molecular weight of N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine is 549.19 g/mol.
Where can I buy N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine?
You can request a quote for N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.