Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester
TL;DR: Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester (CAS 130421-65-7) is a chemical compound with molecular formula C19H26BrNO2 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dibutylamino)but-2-ynyl 4-bromobenzoate
Also Known As: 4-(Dibutylamino)-2-butynyl 4-bromobenzoate, Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester, 4-(dibutylamino)but-2-ynyl 4-bromobenzoate, 4-(DIBUTYLAMINO)BUT-2-YN-1-YL 4-BROMOBENZOATE, BRN 4755213
| Molecular Formula | C19H26BrNO2 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.5115 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.1147 |
| Heavy Atoms | 23 |
| Complexity | 508.4114 |
Chemical Identifiers
| CAS Number | 130421-65-7 |
|---|---|
| SMILES | CCCCN(CCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br |
Product Overview
Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester (CAS 130421-65-7), with molecular formula C19H26BrNO2 and molecular weight 379.11 g/mol. IUPAC: 4-(dibutylamino)but-2-ynyl 4-bromobenzoate.
Chemical Property Profile of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester
Property Insights of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester
The XLogP value of 4.5115 indicates that Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester?
The CAS number of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester is 130421-65-7.
What is the molecular formula of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester?
The molecular formula of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester is C19H26BrNO2.
What is the molecular weight of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester?
The molecular weight of Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester is 379.11 g/mol.
Where can I buy Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester?
You can request a quote for Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.