2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)
TL;DR: 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) (CAS 130421-62-4) is a chemical compound with molecular formula C27H43NO2 and molecular weight 413.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dioctylamino)but-2-ynyl benzoate
Also Known As: 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester), 4-(Dioctylamino)-2-butyn-1-ol benzoate (ester), 4-(dioctylamino)but-2-ynyl benzoate, 4-(DIOCTYLAMINO)BUT-2-YN-1-YL BENZOATE, BRN 4759025
| Molecular Formula | C27H43NO2 |
|---|---|
| Molecular Weight | 413.33 g/mol |
| LogP | 6.8698 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 413.32938 |
| Heavy Atoms | 30 |
| Complexity | 571.8758 |
Chemical Identifiers
| CAS Number | 130421-62-4 |
|---|---|
| SMILES | CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)C1=CC=CC=C1 |
Product Overview
2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) (CAS 130421-62-4), with molecular formula C27H43NO2 and molecular weight 413.33 g/mol. IUPAC: 4-(dioctylamino)but-2-ynyl benzoate.
Chemical Property Profile of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)
Property Insights of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)
The XLogP value of 6.8698 indicates that 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (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, 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)?
The CAS number of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) is 130421-62-4.
What is the molecular formula of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)?
The molecular formula of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) is C27H43NO2.
What is the molecular weight of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)?
The molecular weight of 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) is 413.33 g/mol.
Where can I buy 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)?
You can request a quote for 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-(dioctylamino)-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.