6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
TL;DR: 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) (CAS 63916-74-5) is a chemical compound with molecular formula C28H34ClNO2 and molecular weight 451.2278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-benzoyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride
Also Known As: 3-Benzooxy-6-dimethylamino-4,4-diphenylheptane hydrochloride, BENZOIC ACID, 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTYL ESTER, HYDROCHLORIDE, (5-benzoyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride, Benzoic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C28H34ClNO2 |
| Molecular Weight | 451.2278 g/mol |
| XLogP | 1.54 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.2278 Da |
| Heavy Atoms | 32 |
| Complexity | 509.0 |
| SMILES | CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | CGJVQYXNMYLDBV-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
Property Insights of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
The XLogP value of 1.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--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 benzoate--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
What is the CAS number of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) is 63916-74-5.
What is the molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) is C28H34ClNO2.
What is the molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) is 451.2278 g/mol.
Where can I buy 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.