Methyl 5-hex-1-ynyl-2-furoate
TL;DR: Methyl 5-hex-1-ynyl-2-furoate (CAS 175203-88-0) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hex-1-ynylfuran-2-carboxylate
Also Known As: methyl 5-hex-1-ynyl-2-furoate, methyl 5-hex-1-ynylfuran-2-carboxylate, methyl 5-(hex-1-yn-1-yl)furan-2-carboxylate, METHYL5-HEX-1-YNYL-2-FUROATE, Methyl 5-(hex-1-yn-1-yl)-2-furoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.6079 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 379.06177 |
Chemical Identifiers
| CAS Number | 175203-88-0 |
|---|---|
| SMILES | CCCCC#CC1=CC=C(O1)C(=O)OC |
Product Overview
Methyl 5-hex-1-ynyl-2-furoate (CAS 175203-88-0), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: methyl 5-hex-1-ynylfuran-2-carboxylate.
Chemical Property Profile of Methyl 5-hex-1-ynyl-2-furoate
Property Insights of Methyl 5-hex-1-ynyl-2-furoate
The XLogP value of 2.6079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-hex-1-ynyl-2-furoate. With a topological polar surface area (TPSA) of 39.44 Ų, Methyl 5-hex-1-ynyl-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-hex-1-ynyl-2-furoate 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 Methyl 5-hex-1-ynyl-2-furoate?
The CAS number of Methyl 5-hex-1-ynyl-2-furoate is 175203-88-0.
What is the molecular formula of Methyl 5-hex-1-ynyl-2-furoate?
The molecular formula of Methyl 5-hex-1-ynyl-2-furoate is C12H14O3.
What is the molecular weight of Methyl 5-hex-1-ynyl-2-furoate?
The molecular weight of Methyl 5-hex-1-ynyl-2-furoate is 206.09 g/mol.
Where can I buy Methyl 5-hex-1-ynyl-2-furoate?
You can request a quote for Methyl 5-hex-1-ynyl-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-hex-1-ynyl-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-hex-1-ynyl-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.