2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone
TL;DR: 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone (CAS 54963-84-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione
Also Known As: 2,3,4a,5,8,8a-Hexahydro-1,4-naphthoquinone, 1, 2,3,4a,5,8,8a-hexahydro-, 2,3,4a,5,8,8a-Hexahydro-(1,4)naphthoquinone, 2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione, 1,4-Naphthalenedione, 2,3,4a,5,8,8a-hexahydro-
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 54963-84-7 |
|---|---|
| SMILES | C1CC(=O)C2CC=CCC2C1=O |
| InChIKey | NMUVKWGLYGWFCC-UHFFFAOYSA-N |
Product Overview
2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone (CAS 54963-84-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione.
Chemical Property Profile of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone
Property Insights of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone 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 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone?
The CAS number of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone is 54963-84-7.
What is the molecular formula of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone?
The molecular formula of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone is C10H12O2.
What is the molecular weight of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone?
The molecular weight of 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone is 164.08 g/mol.
Where can I buy 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone?
You can request a quote for 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4A,5,8,8A-Hexahydro-(1,4)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.