1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-
TL;DR: 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- (CAS 13153-76-9) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
Also Known As: 1,4-Ethanotetralin-2-one, 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-, Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one, 3,4-Dihydro-1,4-ethanonaphthalen-2(1H)-one, rac-(1R*,8R*)-Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 13153-76-9 |
|---|---|
| SMILES | C1CC2C(=O)CC1C3=CC=CC=C23 |
| InChIKey | JTAWEGXLKGECMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- (CAS 13153-76-9), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one.
Chemical Property Profile of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-
Property Insights of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- has 0 hydrogen bond donor(s) and 1 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 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-?
The CAS number of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- is 13153-76-9.
What is the molecular formula of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-?
The molecular formula of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- is C12H12O.
What is the molecular weight of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-?
The molecular weight of 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- is 172.09 g/mol.
Where can I buy 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-?
You can request a quote for 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.