4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione
TL;DR: 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione (CAS 2760-64-7) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione
Also Known As: 4a,5,8,8a-tetrahydro-1h-isochromene-1,3(4h)-dione, 4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione, 4a,5,8,8a-Tetrahydro-1H-2-benzopyran-1,3(4H)-dione, 3-Cyclohexene-1-aceticacid, 6-carboxy-, cyclic anhydride, trans- (8CI)
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 2760-64-7 |
|---|---|
| SMILES | C1C=CCC2C1CC(=O)OC2=O |
| InChIKey | QSAUKIGQRHSAQI-UHFFFAOYSA-N |
Product Overview
4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione (CAS 2760-64-7), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione.
Chemical Property Profile of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione
Property Insights of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione 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 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione?
The CAS number of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione is 2760-64-7.
What is the molecular formula of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione?
The molecular formula of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione is C9H10O3.
What is the molecular weight of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione?
The molecular weight of 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione is 166.06 g/mol.
Where can I buy 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione?
You can request a quote for 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4a,5,8,8a-Tetrahydro-1h-isochromene-1,3(4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.