3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride
TL;DR: 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride (CAS 67227-09-2) is a chemical compound with molecular formula C21H30ClNO and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-4,4-diphenylheptyl)-dimethylazanium chloride
Also Known As: 7-(Dimethylamino)-4,4-diphenyl-3-heptanol hydrochloride, 3-HEPTANOL, 7-(DIMETHYLAMINO)-4,4-DIPHENYL-, HYDROCHLORIDE, (5-hydroxy-4,4-diphenylheptyl)-dimethylazanium chloride, Benzeneethanol, .beta.-[3-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, hydrochloride, RefChem:1067884
| Molecular Formula | C21H30ClNO |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | -0.33 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.2016 |
| Heavy Atoms | 24 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 67227-09-2 |
|---|---|
| SMILES | CCC(C(CCC[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O.[Cl-] |
| InChIKey | UKSUEHCHLRIILI-UHFFFAOYSA-N |
Product Overview
3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride (CAS 67227-09-2), with molecular formula C21H30ClNO and molecular weight 347.20 g/mol. IUPAC: (5-hydroxy-4,4-diphenylheptyl)-dimethylazanium chloride.
Chemical Property Profile of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride
Property Insights of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride
The XLogP value of -0.33 indicates that 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride has 2 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 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride?
The CAS number of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride is 67227-09-2.
What is the molecular formula of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride?
The molecular formula of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride is C21H30ClNO.
What is the molecular weight of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride?
The molecular weight of 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride is 347.20 g/mol.
Where can I buy 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride?
You can request a quote for 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.