![(Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one structure](/static/products/1065/106533-40-8.webp)
(Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one
TL;DR: (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one (CAS 106533-40-8) 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.
4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one
Also Known As: (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 106533-40-8 |
|---|---|
| SMILES | CCCC=C1C2=C(C3C(O3)CC2)C(=O)O1 |
| InChIKey | ZCTBULGQERTBEG-UHFFFAOYSA-N |
Product Overview
(Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one (CAS 106533-40-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one.
Chemical Property Profile of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one
Property Insights of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one. With a topological polar surface area (TPSA) of 38.8 Ų, (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one 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 (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one?
The CAS number of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one is 106533-40-8.
What is the molecular formula of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one?
The molecular formula of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one is C12H14O3.
What is the molecular weight of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one?
The molecular weight of (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one is 206.09 g/mol.
Where can I buy (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one?
You can request a quote for (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-Butylidene-2,3,4,6b-tetrahydrooxireno[2,3-e]isobenzofuran-6(1aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.