4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐
TL;DR: 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 (CAS 7192-49-6) 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.
4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;(4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium
Also Known As: 4-Allyloxy-3,5-dipropylbenzylamine citrate, BENZYLAMINE, 4-(ALLYLOXY)-3,5-DIPROPYL-, CITRATE, (4-prop-2-enoxy-3,5-dipropylphenyl)methanamine, 2-hydroxypropane-1,2,3-tricarboxylic acid,(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine, 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate; (4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium
| Molecular Formula | C22H33NO8 |
|---|---|
| Molecular Weight | 439.22 g/mol |
| LogP | 0.17 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 439.2206 |
| Heavy Atoms | 31 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 7192-49-6 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)C[NH3+].C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O |
| InChIKey | JENJZEFFFPBXOG-UHFFFAOYSA-N |
Product Overview
4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 (CAS 7192-49-6), with molecular formula C22H33NO8 and molecular weight 439.22 g/mol. IUPAC: 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;(4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium.
Chemical Property Profile of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐
Property Insights of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐. The TPSA of 172.0 Ų indicates high polarity, suggesting 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 has 4 hydrogen bond donor(s) and 8 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-烯丙氧基-3,5-二丙基苄胺柠檬酸盐?
The CAS number of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 is 7192-49-6.
What is the molecular formula of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐?
The molecular formula of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 is C22H33NO8.
What is the molecular weight of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐?
The molecular weight of 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 is 439.22 g/mol.
Where can I buy 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐?
You can request a quote for 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐?
Yes, KEHONG BIO provides custom synthesis services for 4-烯丙氧基-3,5-二丙基苄胺柠檬酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.