3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene
TL;DR: 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene (CAS 68738-98-7) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-4,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene
Also Known As: EINECS 272-122-4, 3a,4,5,6,7,7a-Hexahydro-6-methoxydimethyl-4,7-methano-1H-indene, 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-, 6-(Methoxymethyl)-4,6,7-trimethyl-1,3a,4,5,7,7a-hexahydroindene, 272-122-4
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.8696 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 280.96014 |
Chemical Identifiers
| CAS Number | 68738-98-7 |
|---|---|
| SMILES | CC1C2C3CC(C2C=C1C)CC3OC |
Product Overview
3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene (CAS 68738-98-7), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 8-methoxy-4,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene.
Chemical Property Profile of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene
Property Insights of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene
The XLogP value of 2.8696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene. With a topological polar surface area (TPSA) of 9.23 Ų, 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene 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 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene?
The CAS number of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene is 68738-98-7.
What is the molecular formula of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene?
The molecular formula of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene is C13H20O.
What is the molecular weight of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene?
The molecular weight of 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene is 192.15 g/mol.
Where can I buy 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene?
You can request a quote for 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.