(4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
TL;DR: (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (CAS 6630-45-1) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
Also Known As: KST-1A8056, (4as,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione, (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 6630-45-1 |
|---|---|
| SMILES | CC1=CC[C@]2([C@H](C1)C(=O)C=C(C2=O)OC)C |
| InChIKey | WPVWCISWXIIUIV-RNCFNFMXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione (CAS 6630-45-1), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: (4aS,8aS)-2-methoxy-6,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
Chemical Property Profile of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
Property Insights of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, (4As,8as)-2-methoxy-6,8a-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,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-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 (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The CAS number of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is 6630-45-1.
What is the molecular formula of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The molecular formula of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is C13H16O3.
What is the molecular weight of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
The molecular weight of (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione is 220.11 g/mol.
Where can I buy (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
You can request a quote for (4As,8as)-2-methoxy-6,8a-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,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.