2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)
TL;DR: 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) (CAS 14053-18-0) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dihydropyrrol-1-yl)but-2-ynyl acetate
Also Known As: 4-(3-Pyrrolin-1-yl)-2-butyn-1-ol acetate, 4-(2,5-dihydropyrrol-1-yl)but-2-ynyl acetate, 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester), 4-(2,5-dihydro-1H-pyrrol-1-yl)but-2-yn-1-yl acetate, 2-Butyn-1-ol, 4-(2,5-dihydro-1H-pyrrol-1-yl)-, 1-acetate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 14053-18-0 |
|---|---|
| SMILES | CC(=O)OCC#CCN1CC=CC1 |
| InChIKey | KXGQQUDGEWWPLZ-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) (CAS 14053-18-0), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 4-(2,5-dihydropyrrol-1-yl)but-2-ynyl acetate.
Chemical Property Profile of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)
Property Insights of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester). With a topological polar surface area (TPSA) of 29.5 Ų, 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, 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-(3-pyrrolin-1-yl)-, acetate (ester)?
The CAS number of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) is 14053-18-0.
What is the molecular formula of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)?
The molecular formula of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) is C10H13NO2.
What is the molecular weight of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)?
The molecular weight of 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) is 179.09 g/mol.
Where can I buy 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester)?
You can request a quote for 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, 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-(3-pyrrolin-1-yl)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-(3-pyrrolin-1-yl)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.