4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione
TL;DR: 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione (CAS 124265-91-4) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
Also Known As: 4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione, (+)-4,9(S)-dimethyl-3,5-dioxo-, currency4(10)-octalin, 4a,8-dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione, (S)-4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-naphthalene-1,7-dione
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.4251 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 338.2309 |
Chemical Identifiers
| CAS Number | 124265-91-4 |
|---|---|
| SMILES | CC1=C2C(=O)CCCC2(CCC1=O)C |
Product Overview
4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione (CAS 124265-91-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione.
Chemical Property Profile of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione
Property Insights of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione
The XLogP value of 2.4251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione. With a topological polar surface area (TPSA) of 34.14 Ų, 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione 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 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione?
The CAS number of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione is 124265-91-4.
What is the molecular formula of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione?
The molecular formula of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione is C12H16O2.
What is the molecular weight of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione?
The molecular weight of 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione is 192.12 g/mol.
Where can I buy 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione?
You can request a quote for 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 4a,8-Dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.