3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde
TL;DR: 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde (CAS 87621-11-2) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbaldehyde
Also Known As: 3-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 87621-11-2 |
|---|---|
| SMILES | CC1C2CC(C1C=O)C3C2C4CC3C=C4 |
| InChIKey | IZLWCBCDUAJORE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde (CAS 87621-11-2), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 5-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbaldehyde.
Chemical Property Profile of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde
Property Insights of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde 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 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde?
The CAS number of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde is 87621-11-2.
What is the molecular formula of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde?
The molecular formula of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde is C14H18O.
What is the molecular weight of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde?
The molecular weight of 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde is 202.14 g/mol.
Where can I buy 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde?
You can request a quote for 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.