Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
TL;DR: Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) (CAS 17010-56-9) is a chemical compound with molecular formula C26H50Cl4N4O4 and molecular weight 622.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate;tetrahydrochloride
Also Known As: Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4), Bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]non-9-yl)ethyl] Hexanedioate Tetrahydrochloride, bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate tetrahydrochloride, Bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate--hydrogen chloride (1/4), RefChem:317302
| Molecular Formula | C26H50Cl4N4O4 |
|---|---|
| Molecular Weight | 622.26 g/mol |
| LogP | 3.6574 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 622.2586 |
| Heavy Atoms | 38 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 17010-56-9 |
|---|---|
| SMILES | CN1CC2CCCC(C1)N2CCOC(=O)CCCCC(=O)OCCN3C4CCCC3CN(C4)C.Cl.Cl.Cl.Cl |
| InChIKey | JQPXXCLZTFSIJY-UHFFFAOYSA-N |
Product Overview
Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) (CAS 17010-56-9), with molecular formula C26H50Cl4N4O4 and molecular weight 622.26 g/mol. IUPAC: bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate;tetrahydrochloride.
Chemical Property Profile of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
Property Insights of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
The XLogP value of 3.6574 indicates that Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4). Following Lipinski's Rule of Five, Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)?
The CAS number of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) is 17010-56-9.
What is the molecular formula of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)?
The molecular formula of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) is C26H50Cl4N4O4.
What is the molecular weight of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)?
The molecular weight of Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) is 622.26 g/mol.
Where can I buy Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)?
You can request a quote for Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.