3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
TL;DR: 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS 94596-27-7) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
Also Known As: senkyunolide I, Senkyunolide H, 3-BUTYLIDENE-6,7-DIHYDROXY-4,5,6,7-TETRAHYDRO-2-BENZOFURAN-1-ONE, B0005-464371, 3-butylidene-6,7-dihydroxy-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.0394 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 367.21506 |
Chemical Identifiers
| CAS Number | 94596-27-7 |
|---|---|
| SMILES | CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 |
Product Overview
3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS 94596-27-7), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one.
Chemical Property Profile of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
Property Insights of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
The XLogP value of 1.0394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one has 2 hydrogen bond donor(s) and 4 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-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The CAS number of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is 94596-27-7.
What is the molecular formula of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular formula of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is C12H16O4.
What is the molecular weight of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular weight of 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is 224.10 g/mol.
Where can I buy 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one?
You can request a quote for 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.