Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride
TL;DR: Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride (CAS 63916-75-6) 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.
(4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylazanium chloride
Also Known As: 3-Benzooxy-6-dimethylamino-4,4-diphenyl-5-methylhexane hydrochloride, (4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylazanium chloride, BENZOIC ACID, 6-DIMETHYLAMINO-4,4-DIPHENYL-5-METHYL-3-HEXYL ESTER, HYDROCHLORIDE, Benzeneethanol, .beta.-[2-(dimethylamino)-1-methylethyl]-.alpha.-ethyl-.beta.-phenyl-, benzoate (ester), hydrochloride
Technical Specifications
| Molecular Formula | C28H34ClNO2 |
| Molecular Weight | 451.2278 g/mol |
| XLogP | 1.39 |
| 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(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[NH+](C)C)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | MNEFHXBPYCMINU-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride
Property Insights of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride
The XLogP value of 1.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride 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 Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride?
The CAS number of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride is 63916-75-6.
What is the molecular formula of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride?
The molecular formula of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride is C28H34ClNO2.
What is the molecular weight of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride?
The molecular weight of Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride is 451.2278 g/mol.
Where can I buy Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride?
You can request a quote for Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.