1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-
TL;DR: 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- (CAS 63767-07-7) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-3,3a,4,5-tetrahydro-2H-indene-1-carbaldehyde
Also Known As: 1,5-Dimethyl-2,6,7,7a-tetrahydro-1H-indene-3-carbaldehyde, 2,6,7,7a-Tetrahydro-1,5-dimethyl-1H-indene-3-carbaldehyde, 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-, 1,5-Dimethyl-2,6,7,7a-tetrahydro-1H-indene-3-carbaldehyde #, 3,6-dimethyl-3,3a,4,5-tetrahydro-2H-indene-1-carbaldehyde
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 63767-07-7 |
|---|---|
| SMILES | CC1CC(=C2C1CCC(=C2)C)C=O |
| InChIKey | HCDJTUMTMPSUBK-UHFFFAOYSA-N |
Product Overview
1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- (CAS 63767-07-7), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3,6-dimethyl-3,3a,4,5-tetrahydro-2H-indene-1-carbaldehyde.
Chemical Property Profile of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-
Property Insights of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- 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 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-?
The CAS number of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- is 63767-07-7.
What is the molecular formula of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-?
The molecular formula of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- is C12H16O.
What is the molecular weight of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-?
The molecular weight of 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- is 176.12 g/mol.
Where can I buy 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-?
You can request a quote for 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-3-carboxaldehyde, 2,6,7,7a-tetrahydro-1,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.