Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride
TL;DR: Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride (CAS 95429-20-2) is a chemical compound with molecular formula C19H28Cl2N2O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium dichloride
Also Known As: M & B 2539, ANILINE, 4,4'-(HEPTAMETHYLENEDIOXY)DI-, DIHYDROCHLORIDE, 4,4'-(Heptamethylenedioxy)dianiline dihydrochloride, [4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium;dichloride, [4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium dichloride
| Molecular Formula | C19H28Cl2N2O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | -3.15 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.15277 |
| Heavy Atoms | 25 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 95429-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[NH3+])OCCCCCCCOC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-] |
| InChIKey | BHLHSYYTCNTEOZ-UHFFFAOYSA-N |
Product Overview
Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride (CAS 95429-20-2), with molecular formula C19H28Cl2N2O2 and molecular weight 386.15 g/mol. IUPAC: [4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium dichloride.
Chemical Property Profile of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride
Property Insights of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride
The XLogP value of -3.15 indicates that Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride. Following Lipinski's Rule of Five, Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride has 2 hydrogen bond donor(s) and 4 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 Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride?
The CAS number of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride is 95429-20-2.
What is the molecular formula of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride?
The molecular formula of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride is C19H28Cl2N2O2.
What is the molecular weight of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride?
The molecular weight of Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride is 386.15 g/mol.
Where can I buy Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride?
You can request a quote for Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.