6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)
TL;DR: 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) (CAS 63848-89-5) is a chemical compound with molecular formula C24H34ClNO2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-diphenyl-5-propanoyloxyheptan-2-yl)-dimethylazanium chloride
Also Known As: 3-Propionoxy-6-dimethylamino-4,4-diphenyl heptane hydrochloride, 3-HEPTANOL, 6-(N,N-DIMETHYLAMINO)-4,4-DIPHENYL-, PROPIONATE, HYDROCHLORIDE, (4,4-diphenyl-5-propanoyloxyheptan-2-yl)-dimethylazanium chloride, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1), Benzeneethanol, .beta.-[2-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, propanoate (ester), hydrochloride
| Molecular Formula | C24H34ClNO2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.2278 |
| Heavy Atoms | 28 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 63848-89-5 |
|---|---|
| SMILES | CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)CC.[Cl-] |
| InChIKey | MARGMYHNEQURTE-UHFFFAOYSA-N |
Product Overview
6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) (CAS 63848-89-5), with molecular formula C24H34ClNO2 and molecular weight 403.23 g/mol. IUPAC: (4,4-diphenyl-5-propanoyloxyheptan-2-yl)-dimethylazanium chloride.
Chemical Property Profile of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)
Property Insights of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--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 propanoate--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 propanoate--hydrogen chloride (1/1)?
The CAS number of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) is 63848-89-5.
What is the molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)?
The molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) is C24H34ClNO2.
What is the molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)?
The molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) is 403.23 g/mol.
Where can I buy 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1)?
You can request a quote for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--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 propanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl propanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.