Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester
TL;DR: Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester (CAS 73680-64-5) is a chemical compound with molecular formula C22H36ClNO2 and molecular weight 381.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-heptoxy-2-oxoethyl)-dimethyl-[(Z)-3-methyl-4-phenylbut-2-enyl]azanium chloride
Also Known As: (3-Benzyl-2-butenyl)dimethyl(heptyloxycarbonylmethyl)ammonium chloride, AMMONIUM, (3-BENZYL-2-BUTENYL)(CARBOXYMETHYL)DIMETHYL-, CHLORIDE, HEPTYL ESTER, (2-heptoxy-2-oxoethyl)-dimethyl-[(Z)-3-methyl-4-phenylbut-2-enyl]azanium chloride, 2-Buten-1-aminium, N-[2-(heptyloxy)-2-oxoethyl]-N,N,3-trimethyl-4-phenyl-, chloride, RefChem:1076755
| Molecular Formula | C22H36ClNO2 |
|---|---|
| Molecular Weight | 381.24 g/mol |
| LogP | 1.7694 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 381.24347 |
| Heavy Atoms | 26 |
| Complexity | 526.2036 |
Chemical Identifiers
| CAS Number | 73680-64-5 |
|---|---|
| SMILES | CCCCCCCOC(=O)C[N+](C)(C)C/C=C(/C)\CC1=CC=CC=C1.[Cl-] |
Product Overview
Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester (CAS 73680-64-5), with molecular formula C22H36ClNO2 and molecular weight 381.24 g/mol. IUPAC: (2-heptoxy-2-oxoethyl)-dimethyl-[(Z)-3-methyl-4-phenylbut-2-enyl]azanium chloride.
Chemical Property Profile of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester
Property Insights of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester
The XLogP value of 1.7694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester has 0 hydrogen bond donor(s) and 2 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 Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester?
The CAS number of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester is 73680-64-5.
What is the molecular formula of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester?
The molecular formula of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester is C22H36ClNO2.
What is the molecular weight of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester?
The molecular weight of Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester is 381.24 g/mol.
Where can I buy Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester?
You can request a quote for Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-benzyl-2-butenyl)(carboxymethyl)dimethyl-, chloride, heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.