3-Butyn-2-ol, 4-ethoxy-
TL;DR: 3-Butyn-2-ol, 4-ethoxy- (CAS 36677-86-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxybut-3-yn-2-ol
Also Known As: 4-ethoxybut-3-yn-2-ol, 3-Butyn-2-ol, 4-ethoxy-, 1-ethoxy-3-hydroxy-1-butyne
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 36677-86-8 |
|---|---|
| SMILES | CCOC#CC(C)O |
| InChIKey | JBOIAYJONVIDDX-UHFFFAOYSA-N |
Product Overview
3-Butyn-2-ol, 4-ethoxy- (CAS 36677-86-8), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-ethoxybut-3-yn-2-ol.
Chemical Property Profile of 3-Butyn-2-ol, 4-ethoxy-
Property Insights of 3-Butyn-2-ol, 4-ethoxy-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 4-ethoxy-. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Butyn-2-ol, 4-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 4-ethoxy- has 1 hydrogen bond donor(s) and 2 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 3-Butyn-2-ol, 4-ethoxy-?
The CAS number of 3-Butyn-2-ol, 4-ethoxy- is 36677-86-8.
What is the molecular formula of 3-Butyn-2-ol, 4-ethoxy-?
The molecular formula of 3-Butyn-2-ol, 4-ethoxy- is C6H10O2.
What is the molecular weight of 3-Butyn-2-ol, 4-ethoxy-?
The molecular weight of 3-Butyn-2-ol, 4-ethoxy- is 114.07 g/mol.
Where can I buy 3-Butyn-2-ol, 4-ethoxy-?
You can request a quote for 3-Butyn-2-ol, 4-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-ol, 4-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 4-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.