2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-
TL;DR: 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- (CAS 4087-39-2) is a chemical compound with molecular formula CC12CCCCC1=CC(=O)CC2 and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-, 4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one, 4a-Methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone, (R)-(-)-10-Methyl-1(9)-octal-2-one, 4,4a,5,6,7,8-hexahydro-4a-methyl-2(3h)-naphthalenone
| Molecular Formula | CC12CCCCC1=CC(=O)CC2 |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 4087-39-2 |
|---|---|
| SMILES | CC12CCCCC1=CC(=O)CC2 |
| InChIKey | OHERZLWVBJCXOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- (CAS 4087-39-2), with molecular formula CC12CCCCC1=CC(=O)CC2 and molecular weight 164.12 g/mol. IUPAC: 4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-
Property Insights of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- 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 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-?
The CAS number of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- is 4087-39-2.
What is the molecular formula of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-?
The molecular formula of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- is CC12CCCCC1=CC(=O)CC2.
What is the molecular weight of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-?
The molecular weight of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- is 164.12 g/mol.
Where can I buy 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-?
You can request a quote for 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.