![3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione structure](/static/products/4011/40114-84-9.webp)
3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione
TL;DR: 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione (CAS 40114-84-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5a,9-trimethyl-3a,4,5,9,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: 3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione, 3,5a,9-trimethyl-3a,4,5,9,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione, (3.ALPHA.,5A.BETA.,9.BETA.,9A.BETA.,9B.BETA.)-OCTAHYDRO-3,5A,9-TRIMETHYLNAPHTHO[1,2-B]FURAN-2,8(3H,4H)-DIONE
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 40114-84-9 |
|---|---|
| SMILES | CC1C2CCC3(C=CC(=O)C(C3C2OC1=O)C)C |
| InChIKey | QKFUYQHESIDKSK-UHFFFAOYSA-N |
Product Overview
3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione (CAS 40114-84-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 3,5a,9-trimethyl-3a,4,5,9,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione
Property Insights of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,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 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione?
The CAS number of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione is 40114-84-9.
What is the molecular formula of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione?
The molecular formula of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione is C15H20O3.
What is the molecular weight of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione?
The molecular weight of 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione is 248.14 g/mol.
Where can I buy 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione?
You can request a quote for 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,5a,9-Trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.