2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)
TL;DR: 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) (CAS 5350-98-1) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)but-2-ynyl benzoate
Also Known As: 4-(dimethylamino)but-2-yn-1-yl benzoate, 4-(dimethylamino)but-2-ynyl benzoate, 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester), 4-N-Dimethylaminobutyn-2-yl ester of benzoic acid, 4-09-00-00567 (Beilstein Handbook Reference)
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 5350-98-1 |
|---|---|
| SMILES | CN(C)CC#CCOC(=O)C1=CC=CC=C1 |
| InChIKey | RFWSKQOCEPHONN-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) (CAS 5350-98-1), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 4-(dimethylamino)but-2-ynyl benzoate.
Chemical Property Profile of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)
Property Insights of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester). With a topological polar surface area (TPSA) of 29.5 Ų, 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (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 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)?
The CAS number of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) is 5350-98-1.
What is the molecular formula of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)?
The molecular formula of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) is C13H15NO2.
What is the molecular weight of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)?
The molecular weight of 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) is 217.11 g/mol.
Where can I buy 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)?
You can request a quote for 2-Butyn-1-ol, 4-(dimethylamino)-, 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-(dimethylamino)-, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.