Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester
TL;DR: Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester (CAS 130421-68-0) is a chemical compound with molecular formula C24H37NO3 and molecular weight 387.27734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(dihexylamino)but-2-ynyl 2-methoxybenzoate
Also Known As: 4-(Dihexylamino)-2-butynyl 2-methoxybenzoate, Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester, 4-(dihexylamino)but-2-ynyl 2-methoxybenzoate, 4-(DIHEXYLAMINO)BUT-2-YN-1-YL 2-METHOXYBENZOATE, BRN 4758018
Technical Specifications
| Molecular Formula | C24H37NO3 |
| Molecular Weight | 387.27734 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 387.27734 Da |
| Heavy Atoms | 28 |
| Complexity | 453.0 |
| SMILES | CCCCCCN(CCCCCC)CC#CCOC(=O)C1=CC=CC=C1OC |
| InChIKey | DMQDYOURJHSXEI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester
Property Insights of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester
The XLogP value of 6.5 indicates that Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester?
The CAS number of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester is 130421-68-0.
What is the molecular formula of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester?
The molecular formula of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester is C24H37NO3.
What is the molecular weight of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester?
The molecular weight of Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester is 387.27734 g/mol.
Where can I buy Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester?
You can request a quote for Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-methoxy-, 4-(dihexylamino)-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.