4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate
TL;DR: 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate (CAS 98347-94-5) is a chemical compound with molecular formula C17H26Cl2N4O9S and molecular weight 532.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine;2,4,6-trinitrobenzenesulfonic acid
Also Known As: 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate, N-(2-Chloroethyl)-N-(3-methylbutyl)-4-chlorobutylamine picrylsulfonate, Butylamine, 4-chloro-N-(2-chloroethyl)-N-isopentyl-, picrylsulfonate, 4-Chloro-N-(2-chloroethyl)-N-(3-methylbutyl)butylamine picrylsulfonate, Benzenesulfonic acid, 2,4,6-trinitro-, compd. with 4-chloro-N-(2-chloroethyl)-3'-methyldibutylamine
| Molecular Formula | C17H26Cl2N4O9S |
|---|---|
| Molecular Weight | 532.08 g/mol |
| LogP | 4.2502 |
| Topological Polar Surface Area | 187.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 532.0798 |
| Heavy Atoms | 33 |
| Complexity | 894.0574 |
Chemical Identifiers
| CAS Number | 98347-94-5 |
|---|---|
| SMILES | CC(C)CCN(CCCCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate (CAS 98347-94-5), with molecular formula C17H26Cl2N4O9S and molecular weight 532.08 g/mol. IUPAC: N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate
Property Insights of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate
The XLogP value of 4.2502 indicates that 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.03 Ų indicates high polarity, suggesting 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate has 1 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 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate?
The CAS number of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate is 98347-94-5.
What is the molecular formula of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate?
The molecular formula of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate is C17H26Cl2N4O9S.
What is the molecular weight of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate?
The molecular weight of 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate is 532.08 g/mol.
Where can I buy 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate?
You can request a quote for 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(2-chloroethyl)-N-isopentylbutylamine picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.