1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
TL;DR: 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (CAS 70703-08-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Also Known As: 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-1-methoxy-2(3H)-naphthalenone, 1-methoxy-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one, 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone #, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1-methoxy-
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 70703-08-1 |
|---|---|
| SMILES | COC1=C2CCCCC2CCC1=O |
| InChIKey | BNANBAKHPCHNTA-UHFFFAOYSA-N |
Product Overview
1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (CAS 70703-08-1), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 1-methoxy-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
Chemical Property Profile of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
Property Insights of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 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-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone?
The CAS number of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone is 70703-08-1.
What is the molecular formula of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone?
The molecular formula of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone is C11H16O2.
What is the molecular weight of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone?
The molecular weight of 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone is 180.12 g/mol.
Where can I buy 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone?
You can request a quote for 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.