2,2'-二氯-N-甲基二乙胺苦味酸盐
TL;DR: 2,2'-二氯-N-甲基二乙胺苦味酸盐 (CAS 2475-58-3) is a chemical compound with molecular formula C11H14Cl2N4O7 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2'-二氯-N-甲基二乙胺苦味酸盐
bis(2-chloroethyl)-methylazanium;2,4,6-trinitrophenolate
Also Known As: Methyl-di-(beta-chloroethyl)ammonium picrate, Ammonium, methyl-di-(beta-chloroethyl)-, picrate, DIETHYLAMINE, 2,2'-DICHLORO-N-METHYL-, PICRATE, Diethylamine, 2,2'-dichloro-N-methyl-, monopicrate, bis(2-chloroethyl)-methylazanium; 2,4,6-trinitrophenolate
| Molecular Formula | C11H14Cl2N4O7 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.02396 |
| Heavy Atoms | 24 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 2475-58-3 |
|---|---|
| SMILES | C[NH+](CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GANZESHTQXSULQ-UHFFFAOYSA-N |
Product Overview
2,2'-二氯-N-甲基二乙胺苦味酸盐 (CAS 2475-58-3), with molecular formula C11H14Cl2N4O7 and molecular weight 384.02 g/mol. IUPAC: bis(2-chloroethyl)-methylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of 2,2'-二氯-N-甲基二乙胺苦味酸盐
Property Insights of 2,2'-二氯-N-甲基二乙胺苦味酸盐
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-二氯-N-甲基二乙胺苦味酸盐. The TPSA of 165.0 Ų indicates high polarity, suggesting 2,2'-二氯-N-甲基二乙胺苦味酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-二氯-N-甲基二乙胺苦味酸盐 has 1 hydrogen bond donor(s) and 7 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 2,2'-二氯-N-甲基二乙胺苦味酸盐?
The CAS number of 2,2'-二氯-N-甲基二乙胺苦味酸盐 is 2475-58-3.
What is the molecular formula of 2,2'-二氯-N-甲基二乙胺苦味酸盐?
The molecular formula of 2,2'-二氯-N-甲基二乙胺苦味酸盐 is C11H14Cl2N4O7.
What is the molecular weight of 2,2'-二氯-N-甲基二乙胺苦味酸盐?
The molecular weight of 2,2'-二氯-N-甲基二乙胺苦味酸盐 is 384.02 g/mol.
Where can I buy 2,2'-二氯-N-甲基二乙胺苦味酸盐?
You can request a quote for 2,2'-二氯-N-甲基二乙胺苦味酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-二氯-N-甲基二乙胺苦味酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-二氯-N-甲基二乙胺苦味酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.