Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester
TL;DR: Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester (CAS 130444-11-0) is a chemical compound with molecular formula C23H34BrNO2 and molecular weight 435.17728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(dihexylamino)but-2-ynyl 4-bromobenzoate
Also Known As: 4-(Dihexylamino)-2-butynyl 4-bromobenzoate, Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester, 4-(dihexylamino)but-2-ynyl 4-bromobenzoate, 4-(DIHEXYLAMINO)BUT-2-YN-1-YL 4-BROMOBENZOATE, BRN 4759181
Technical Specifications
| Molecular Formula | C23H34BrNO2 |
| Molecular Weight | 435.17728 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 435.17728 Da |
| Heavy Atoms | 27 |
| Complexity | 434.0 |
| SMILES | CCCCCCN(CCCCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br |
| InChIKey | ITOCWWFNHVQLBN-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester
Property Insights of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester
The XLogP value of 7.2 indicates that Benzoic acid, 4-bromo-, 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 29.5 Ų, Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester?
The CAS number of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester is 130444-11-0.
What is the molecular formula of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester?
The molecular formula of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester is C23H34BrNO2.
What is the molecular weight of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester?
The molecular weight of Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester is 435.17728 g/mol.
Where can I buy Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester?
You can request a quote for Benzoic acid, 4-bromo-, 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, 4-bromo-, 4-(dihexylamino)-2-butynyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.