Hexetylamine citrate
TL;DR: Hexetylamine citrate (CAS 14601-95-7) is a chemical compound with molecular formula C22H39NO9 and molecular weight 461.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-cyclohexylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Hexetylamine citrate, Hexetylaminil citras, HEXETYLAMINE CITRATE [WHO-DD], 2-Diethylaminoethyl alpha-cyclohexylbutyrate citrate, DL-2-Diethylaminoethyl-(2-cyclohexyl-butyrat)-dihydrogencitrat
| Molecular Formula | C22H39NO9 |
|---|---|
| Molecular Weight | 461.26 g/mol |
| LogP | 2.2294 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 461.26248 |
| Heavy Atoms | 32 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 14601-95-7 |
|---|---|
| SMILES | CCC(C1CCCCC1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | FSDBTUMIKFVKQC-UHFFFAOYSA-N |
Product Overview
Hexetylamine citrate (CAS 14601-95-7), with molecular formula C22H39NO9 and molecular weight 461.26 g/mol. IUPAC: 2-(diethylamino)ethyl 2-cyclohexylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Hexetylamine citrate
Property Insights of Hexetylamine citrate
The XLogP value of 2.2294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexetylamine citrate. The TPSA of 162.0 Ų indicates high polarity, suggesting Hexetylamine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexetylamine citrate has 4 hydrogen bond donor(s) and 10 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 Hexetylamine citrate?
The CAS number of Hexetylamine citrate is 14601-95-7.
What is the molecular formula of Hexetylamine citrate?
The molecular formula of Hexetylamine citrate is C22H39NO9.
What is the molecular weight of Hexetylamine citrate?
The molecular weight of Hexetylamine citrate is 461.26 g/mol.
Where can I buy Hexetylamine citrate?
You can request a quote for Hexetylamine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexetylamine citrate?
Yes, KEHONG BIO provides custom synthesis services for Hexetylamine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.