Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride
TL;DR: Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride (CAS 63979-45-3) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(dimethylamino)-2,2-diphenylpentanoate;hydrochloride
Also Known As: Valeric acid,2,2-dibromo-,ethyl ester, ethyl 4-(dimethylamino)-2,2-diphenylpentanoate, Pentanoic acid, 4-(dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride, 4-Dimethylamino-2,2-diphenyl pentanoate, ethyl ester, hydrochloride, Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C21H28ClNO2 |
| Molecular Weight | 361.18085 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.18085 Da |
| Heavy Atoms | 25 |
| Complexity | 363.0 |
| SMILES | CCOC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl |
| InChIKey | QUKYIGPTBNWYDQ-UHFFFAOYSA-N |
Chemical Property Profile of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride
Property Insights of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride
The XLogP value of 4.3 indicates that Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl 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 Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride?
The CAS number of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride is 63979-45-3.
What is the molecular formula of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride?
The molecular formula of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride is C21H28ClNO2.
What is the molecular weight of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride?
The molecular weight of Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride is 361.18085 g/mol.
Where can I buy Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride?
You can request a quote for Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.