5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione
TL;DR: 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione (CAS 40381-80-4) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,10-dihydroxy-3,7,10,11-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
Also Known As: 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione, 1,10(4H)-dione, 1,4a,5,8a-tetrahydro-5,9-dihydroxy-3,5,8a,9-tetramethyl-
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 40381-80-4 |
|---|---|
| SMILES | CC1=CC2C(=O)C(C1C3C2(C=CC(=O)C3(C)O)C)(C)O |
| InChIKey | YZZXAJIWLRXAHA-UHFFFAOYSA-N |
Product Overview
5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione (CAS 40381-80-4), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 3,10-dihydroxy-3,7,10,11-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione.
Chemical Property Profile of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione
Property Insights of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione. Following Lipinski's Rule of Five, 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione 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 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione?
The CAS number of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione is 40381-80-4.
What is the molecular formula of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione?
The molecular formula of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione is C16H20O4.
What is the molecular weight of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione?
The molecular weight of 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione is 276.14 g/mol.
Where can I buy 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione?
You can request a quote for 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,9-dihydroxy-3,5,8a,9-tetramethyl-1,4a,5,8a-tetrahydro-1,4-ethanonaphthalene-6,10(4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.