3-Butyn-2-ol, 2-methyl-, 2-benzoate
TL;DR: 3-Butyn-2-ol, 2-methyl-, 2-benzoate (CAS 56438-73-4) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-yn-2-yl benzoate
Also Known As: 2-methylbut-3-yn-2-yl benzoate, 3-Butyn-2-ol, 3-methyl-, benzoate, 3-Methyl-butin-1-benzoat-(3), 3-Butyn-2-ol, 2-methyl-, benzoate, 3-Methyl-butin-1-benzoat-(3) [German]
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.2552 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 357.65817 |
Chemical Identifiers
| CAS Number | 56438-73-4 |
|---|---|
| SMILES | CC(C)(C#C)OC(=O)C1=CC=CC=C1 |
Product Overview
3-Butyn-2-ol, 2-methyl-, 2-benzoate (CAS 56438-73-4), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 2-methylbut-3-yn-2-yl benzoate.
Chemical Property Profile of 3-Butyn-2-ol, 2-methyl-, 2-benzoate
Property Insights of 3-Butyn-2-ol, 2-methyl-, 2-benzoate
The XLogP value of 2.2552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 2-methyl-, 2-benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Butyn-2-ol, 2-methyl-, 2-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 2-methyl-, 2-benzoate has 0 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, 2-methyl-, 2-benzoate?
The CAS number of 3-Butyn-2-ol, 2-methyl-, 2-benzoate is 56438-73-4.
What is the molecular formula of 3-Butyn-2-ol, 2-methyl-, 2-benzoate?
The molecular formula of 3-Butyn-2-ol, 2-methyl-, 2-benzoate is C12H12O2.
What is the molecular weight of 3-Butyn-2-ol, 2-methyl-, 2-benzoate?
The molecular weight of 3-Butyn-2-ol, 2-methyl-, 2-benzoate is 188.08 g/mol.
Where can I buy 3-Butyn-2-ol, 2-methyl-, 2-benzoate?
You can request a quote for 3-Butyn-2-ol, 2-methyl-, 2-benzoate 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, 2-methyl-, 2-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 2-methyl-, 2-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.