2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)
TL;DR: 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) (CAS 3921-93-5) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynyl acetate
Also Known As: 4-(1-Pyrrolidinyl)-2-butyn-1-ol acetate, 4-pyrrolidino-2-butynyl acetate, 4-pyrrolidin-1-ylbut-2-ynyl acetate, 1-acetoxy-4-pyrrolidin-1-yl-but-2-yne, 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 3921-93-5 |
|---|---|
| SMILES | CC(=O)OCC#CCN1CCCC1 |
| InChIKey | CMESUIGSCQAVJJ-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) (CAS 3921-93-5), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl acetate.
Chemical Property Profile of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)
Property Insights of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester). With a topological polar surface area (TPSA) of 29.5 Ų, 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (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-(1-pyrrolidinyl)-, acetate (ester)?
The CAS number of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) is 3921-93-5.
What is the molecular formula of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)?
The molecular formula of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) is C10H15NO2.
What is the molecular weight of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)?
The molecular weight of 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) is 181.11 g/mol.
Where can I buy 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester)?
You can request a quote for 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (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-(1-pyrrolidinyl)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-(1-pyrrolidinyl)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.