4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one
TL;DR: 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one (CAS 10280-01-0) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
Also Known As: 4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one, 4a-methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one, methyl-10 3,4,5,6,10H-naphtalenone-2, 2(3H)-Naphthalenone,4,4a,5,6-tetrahydro-4a-methyl-, 4a-Methyl-4,4a,5,6-tetrahydro-3H-naphthalin-2-on
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 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 | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 10280-01-0 |
|---|---|
| SMILES | CC12CCC=CC1=CC(=O)CC2 |
| InChIKey | NBMYMYDUONUXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one (CAS 10280-01-0), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.
Chemical Property Profile of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one
Property Insights of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one 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 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one?
The CAS number of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one is 10280-01-0.
What is the molecular formula of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one?
The molecular formula of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one is C11H14O.
What is the molecular weight of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one?
The molecular weight of 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one is 162.10 g/mol.
Where can I buy 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one?
You can request a quote for 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-Methyl-4,4a,5,6-tetrahydronaphthalen-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.