1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-
TL;DR: 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- (CAS 62770-53-0) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-prop-2-enyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
Also Known As: BAS 02072454, J3.718.399G, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-, 8a-Allyl-2,3,4,7,8,8a-hexahydronaphthalene-1,6-dione, 8a-allyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 62770-53-0 |
|---|---|
| SMILES | C=CCC12CCC(=O)C=C1CCCC2=O |
| InChIKey | HBBRHQLTEFRJFN-UHFFFAOYSA-N |
Product Overview
1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- (CAS 62770-53-0), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 8a-prop-2-enyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione.
Chemical Property Profile of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-
Property Insights of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- 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 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-?
The CAS number of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- is 62770-53-0.
What is the molecular formula of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-?
The molecular formula of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- is C13H16O2.
What is the molecular weight of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-?
The molecular weight of 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- is 204.12 g/mol.
Where can I buy 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-?
You can request a quote for 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.