RefChem:1073734
TL;DR: RefChem:1073734 (CAS 67196-18-3) is a chemical compound with molecular formula C24H34ClNO3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethoxycarbonyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride
Also Known As: N,N-Dimethyl-3,3-diphenyl-4-(ethoxyformyloxy)-1-methylhexylamine hydrochloride, (5-ethoxycarbonyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride, Carbonic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ethyl ester, hydrochloride, Hexylamine, N,N-dimethyl-3,3-diphenyl-4-(ethoxyformyloxy)-1-methyl-, hydrochloride, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl ethyl carbonate--hydrogen chloride (1/1)
| Molecular Formula | C24H34ClNO3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.22272 |
| Heavy Atoms | 29 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 67196-18-3 |
|---|---|
| SMILES | CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)OCC.[Cl-] |
| InChIKey | LKNRLMWCFGYFEA-UHFFFAOYSA-N |
Product Overview
RefChem:1073734 (CAS 67196-18-3), with molecular formula C24H34ClNO3 and molecular weight 419.22 g/mol. IUPAC: (5-ethoxycarbonyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1073734
Property Insights of RefChem:1073734
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073734. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1073734 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073734 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:1073734?
The CAS number of RefChem:1073734 is 67196-18-3.
What is the molecular formula of RefChem:1073734?
The molecular formula of RefChem:1073734 is C24H34ClNO3.
What is the molecular weight of RefChem:1073734?
The molecular weight of RefChem:1073734 is 419.22 g/mol.
Where can I buy RefChem:1073734?
You can request a quote for RefChem:1073734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.