2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
TL;DR: 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate (CAS 65384-02-3) is a chemical compound with molecular formula C10H11O3- and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
Also Known As: 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
| Molecular Formula | C10H11O3- |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.83032 |
| Topological Polar Surface Area | 53.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.07082 |
| Heavy Atoms | 13 |
| Complexity | 349.297 |
Chemical Identifiers
| CAS Number | 65384-02-3 |
|---|---|
| SMILES | CC1=C(C2=C(O1)CCCC2)C(=O)[O-] |
Product Overview
2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate (CAS 65384-02-3), with molecular formula C10H11O3- and molecular weight 179.07 g/mol. IUPAC: 2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate.
Chemical Property Profile of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
Property Insights of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
The XLogP value of 0.83032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate. With a topological polar surface area (TPSA) of 53.27 Ų, 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate 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-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The CAS number of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is 65384-02-3.
What is the molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is C10H11O3-.
What is the molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is 179.07 g/mol.
Where can I buy 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
You can request a quote for 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.