6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)
TL;DR: 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) (CAS 66967-59-7) is a chemical compound with molecular formula C29H36ClNO2 and molecular weight 465.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,4-diphenyl-5-(2-phenylacetyl)oxyheptan-2-yl]-dimethylazanium chloride
Also Known As: Acetic acid, phenyl-, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, [4,4-diphenyl-5-(2-phenylacetyl)oxyheptan-2-yl]-dimethylazanium chloride, Phenylacetic acid (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, 4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl ester, hydrochloride
| Molecular Formula | C29H36ClNO2 |
|---|---|
| Molecular Weight | 465.24 g/mol |
| LogP | 1.46 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 465.24347 |
| Heavy Atoms | 33 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 66967-59-7 |
|---|---|
| SMILES | CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[Cl-] |
| InChIKey | JNNDASMRVKYNFX-UHFFFAOYSA-N |
Product Overview
6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) (CAS 66967-59-7), with molecular formula C29H36ClNO2 and molecular weight 465.24 g/mol. IUPAC: [4,4-diphenyl-5-(2-phenylacetyl)oxyheptan-2-yl]-dimethylazanium chloride.
Chemical Property Profile of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)
Property Insights of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)?
The CAS number of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) is 66967-59-7.
What is the molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)?
The molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) is C29H36ClNO2.
What is the molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)?
The molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) is 465.24 g/mol.
Where can I buy 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)?
You can request a quote for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.