(4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
TL;DR: (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (CAS 35774-01-7) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
Also Known As: J2.751.705F, 8,9-dimethylbicyclo[4.4.O]deca-3,8-diene-2,5-dione, (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione, 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis-, (4aR,8aS)-6,7-dimethyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-dione
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.057 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 326.518 |
Chemical Identifiers
| CAS Number | 35774-01-7 |
|---|---|
| SMILES | CC1=C(C[C@H]2[C@@H](C1)C(=O)C=CC2=O)C |
Product Overview
(4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (CAS 35774-01-7), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione.
Chemical Property Profile of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
Property Insights of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
The XLogP value of 2.057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione has 0 hydrogen bond donor(s) and 2 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 (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The CAS number of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is 35774-01-7.
What is the molecular formula of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The molecular formula of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is C12H14O2.
What is the molecular weight of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The molecular weight of (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is 190.10 g/mol.
Where can I buy (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
You can request a quote for (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (4aS,8aR)-6,7-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.