RefChem:327476
TL;DR: RefChem:327476 (CAS 100347-75-9) is a chemical compound with molecular formula C22H36ClNO3 and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-prop-2-enoxy-3,5-dipropylbenzoyl)oxyethyl]azanium chloride
Also Known As: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-(diethylamino)ethyl ester, hydrochloride, 4-Allyloxy-3,5-dipropylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride, diethyl-[2-(4-prop-2-enoxy-3,5-dipropylbenzoyl)oxyethyl]azanium chloride, n,n-diethyl-2-{[4-(prop-2-en-1-yloxy)-3,5-dipropylbenzoyl]oxy}ethanaminium chloride, RefChem:327476
| Molecular Formula | C22H36ClNO3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 397.23837 |
| Heavy Atoms | 27 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 100347-75-9 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | UNBBKXVLTQMSGI-UHFFFAOYSA-N |
Product Overview
RefChem:327476 (CAS 100347-75-9), with molecular formula C22H36ClNO3 and molecular weight 397.24 g/mol. IUPAC: diethyl-[2-(4-prop-2-enoxy-3,5-dipropylbenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:327476
Property Insights of RefChem:327476
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327476. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:327476 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327476 has 1 hydrogen bond donor(s) and 4 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 RefChem:327476?
The CAS number of RefChem:327476 is 100347-75-9.
What is the molecular formula of RefChem:327476?
The molecular formula of RefChem:327476 is C22H36ClNO3.
What is the molecular weight of RefChem:327476?
The molecular weight of RefChem:327476 is 397.24 g/mol.
Where can I buy RefChem:327476?
You can request a quote for RefChem:327476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327476?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.