Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate
TL;DR: Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate (CAS 6964-77-8) is a chemical compound with molecular formula C26H36N2O4 and molecular weight 440.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(dimethylamino)ethyl] 3,4-diphenylhexanedioate
Also Known As: bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate, bis[2-(dimethylamino)ethyl] 3,4-diphenylhexanedioate, Hexanedioic acid,3,4-diphenyl-, bis[2-(dimethylamino)ethyl] ester, dihydrochloride (9CI)
| Molecular Formula | C26H36N2O4 |
|---|---|
| Molecular Weight | 440.27 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 440.26752 |
| Heavy Atoms | 32 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 6964-77-8 |
|---|---|
| SMILES | CN(C)CCOC(=O)CC(C1=CC=CC=C1)C(CC(=O)OCCN(C)C)C2=CC=CC=C2 |
| InChIKey | CUOITKIRYAMQFH-UHFFFAOYSA-N |
Product Overview
Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate (CAS 6964-77-8), with molecular formula C26H36N2O4 and molecular weight 440.27 g/mol. IUPAC: bis[2-(dimethylamino)ethyl] 3,4-diphenylhexanedioate.
Chemical Property Profile of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate
Property Insights of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate
The XLogP value of 3.4 indicates that Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate has 0 hydrogen bond donor(s) and 6 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 Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate?
The CAS number of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate is 6964-77-8.
What is the molecular formula of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate?
The molecular formula of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate is C26H36N2O4.
What is the molecular weight of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate?
The molecular weight of Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate is 440.27 g/mol.
Where can I buy Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate?
You can request a quote for Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-dimethylaminoethyl) 3,4-diphenylhexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.