4-Allyloxy-3,5-dipropylbenzylamine citrate
TL;DR: 4-Allyloxy-3,5-dipropylbenzylamine citrate (CAS 92853-19-5) is a chemical compound with molecular formula C22H33NO8 and molecular weight 439.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine
Also Known As: 4-Allyloxy-3,5-dipropylbenzylamine citrate, BENZYLAMINE, 4-(ALLYLOXY)-3,5-DIPROPYL-, CITRATE, 2-hydroxypropane-1,2,3-tricarboxylic acid; (4-prop-2-enoxy-3,5-dipropylphenyl)methanamine, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-{4-[(prop-2-en-1-yl)oxy]-3,5-dipropylphenyl}methanamine (1/1)
| Molecular Formula | C22H33NO8 |
|---|---|
| Molecular Weight | 439.22 g/mol |
| LogP | 2.3666 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 439.2206 |
| Heavy Atoms | 31 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 92853-19-5 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)CN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JSHQPFZHIIMGJX-UHFFFAOYSA-N |
Product Overview
4-Allyloxy-3,5-dipropylbenzylamine citrate (CAS 92853-19-5), with molecular formula C22H33NO8 and molecular weight 439.22 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine.
Chemical Property Profile of 4-Allyloxy-3,5-dipropylbenzylamine citrate
Property Insights of 4-Allyloxy-3,5-dipropylbenzylamine citrate
The XLogP value of 2.3666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyloxy-3,5-dipropylbenzylamine citrate. The TPSA of 167.0 Ų indicates high polarity, suggesting 4-Allyloxy-3,5-dipropylbenzylamine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Allyloxy-3,5-dipropylbenzylamine citrate has 5 hydrogen bond donor(s) and 9 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 4-Allyloxy-3,5-dipropylbenzylamine citrate?
The CAS number of 4-Allyloxy-3,5-dipropylbenzylamine citrate is 92853-19-5.
What is the molecular formula of 4-Allyloxy-3,5-dipropylbenzylamine citrate?
The molecular formula of 4-Allyloxy-3,5-dipropylbenzylamine citrate is C22H33NO8.
What is the molecular weight of 4-Allyloxy-3,5-dipropylbenzylamine citrate?
The molecular weight of 4-Allyloxy-3,5-dipropylbenzylamine citrate is 439.22 g/mol.
Where can I buy 4-Allyloxy-3,5-dipropylbenzylamine citrate?
You can request a quote for 4-Allyloxy-3,5-dipropylbenzylamine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyloxy-3,5-dipropylbenzylamine citrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyloxy-3,5-dipropylbenzylamine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.