2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
TL;DR: 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene (CAS 3439-92-7) is a chemical compound with molecular formula C12H15Cl and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
Also Known As: NCIOpen2_000757, 2-chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene, 2-chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4,5,8-dimethano-naphthalene
| Molecular Formula | C12H15Cl |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.08623 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 3439-92-7 |
|---|---|
| SMILES | C1C2CC(C1C3C2C4CC3C=C4)Cl |
| InChIKey | JAUWSFRBDNDALH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene (CAS 3439-92-7), with molecular formula C12H15Cl and molecular weight 194.09 g/mol. IUPAC: 9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
Chemical Property Profile of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
Property Insights of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
The XLogP value of 3.2 indicates that 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene has 0 hydrogen bond donor(s) and 0 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-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene?
The CAS number of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene is 3439-92-7.
What is the molecular formula of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene?
The molecular formula of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene is C12H15Cl.
What is the molecular weight of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene?
The molecular weight of 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene is 194.09 g/mol.
Where can I buy 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene?
You can request a quote for 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.