3-Ethoxybut-2-en-1-ol
TL;DR: 3-Ethoxybut-2-en-1-ol (CAS 90036-85-4) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxybut-2-en-1-ol
Also Known As: 3-ethoxybut-2-en-1-ol, (Z)-3-ethoxybut-2-en-1-ol
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 90036-85-4 |
|---|---|
| SMILES | CCOC(=CCO)C |
| InChIKey | CDVREMSURGDWNE-UHFFFAOYSA-N |
Product Overview
3-Ethoxybut-2-en-1-ol (CAS 90036-85-4), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 3-ethoxybut-2-en-1-ol.
Chemical Property Profile of 3-Ethoxybut-2-en-1-ol
Property Insights of 3-Ethoxybut-2-en-1-ol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxybut-2-en-1-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Ethoxybut-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxybut-2-en-1-ol 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-Ethoxybut-2-en-1-ol?
The CAS number of 3-Ethoxybut-2-en-1-ol is 90036-85-4.
What is the molecular formula of 3-Ethoxybut-2-en-1-ol?
The molecular formula of 3-Ethoxybut-2-en-1-ol is C6H12O2.
What is the molecular weight of 3-Ethoxybut-2-en-1-ol?
The molecular weight of 3-Ethoxybut-2-en-1-ol is 116.08 g/mol.
Where can I buy 3-Ethoxybut-2-en-1-ol?
You can request a quote for 3-Ethoxybut-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxybut-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxybut-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.