双(2-(二乙氨基)乙基)己二酸酯
TL;DR: 双(2-(二乙氨基)乙基)己二酸酯 (CAS 16545-00-9) is a chemical compound with molecular formula C18H36N2O4 and molecular weight 344.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-(二乙氨基)乙基)己二酸酯
bis[2-(diethylamino)ethyl] hexanedioate
Also Known As: bis[2-(diethylamino)ethyl] adipate, Bis(2-(diethylamino)ethyl) adipate, bis[2-(diethylamino)ethyl] hexanedioate, bis(2-diethylaminoethyl) hexanedioate, Hexanedioic acid, bis[2-(diethylamino)ethyl] ester
| Molecular Formula | C18H36N2O4 |
|---|---|
| Molecular Weight | 344.27 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 344.26752 |
| Heavy Atoms | 24 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 16545-00-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC |
| InChIKey | RGAMPJYGTCSRAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-(二乙氨基)乙基)己二酸酯 (CAS 16545-00-9), with molecular formula C18H36N2O4 and molecular weight 344.27 g/mol. IUPAC: bis[2-(diethylamino)ethyl] hexanedioate.
Chemical Property Profile of 双(2-(二乙氨基)乙基)己二酸酯
Property Insights of 双(2-(二乙氨基)乙基)己二酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-(二乙氨基)乙基)己二酸酯. With a topological polar surface area (TPSA) of 59.1 Ų, 双(2-(二乙氨基)乙基)己二酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-(二乙氨基)乙基)己二酸酯 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 双(2-(二乙氨基)乙基)己二酸酯?
The CAS number of 双(2-(二乙氨基)乙基)己二酸酯 is 16545-00-9.
What is the molecular formula of 双(2-(二乙氨基)乙基)己二酸酯?
The molecular formula of 双(2-(二乙氨基)乙基)己二酸酯 is C18H36N2O4.
What is the molecular weight of 双(2-(二乙氨基)乙基)己二酸酯?
The molecular weight of 双(2-(二乙氨基)乙基)己二酸酯 is 344.27 g/mol.
Where can I buy 双(2-(二乙氨基)乙基)己二酸酯?
You can request a quote for 双(2-(二乙氨基)乙基)己二酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-(二乙氨基)乙基)己二酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2-(二乙氨基)乙基)己二酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.