2-Chloronorbornadiene
TL;DR: 2-Chloronorbornadiene (CAS 2294-41-9) is a chemical compound with molecular formula C1C2C=CC1C(=C2)Cl and molecular weight 126.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobicyclo[2.2.1]hepta-2,5-diene
Also Known As: 2-Chloronorbornadiene, 2-chlorobicyclo[2.2.1]hepta-2,5-diene, 3-chlorobicyclo[2.2.1]hepta-2,5-diene
| Molecular Formula | C1C2C=CC1C(=C2)Cl |
|---|---|
| Molecular Weight | 126.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02363 |
| Heavy Atoms | 8 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 2294-41-9 |
|---|---|
| SMILES | C1C2C=CC1C(=C2)Cl |
| InChIKey | WPIUWSFJCBEPBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloronorbornadiene (CAS 2294-41-9), with molecular formula C1C2C=CC1C(=C2)Cl and molecular weight 126.02 g/mol. IUPAC: 2-chlorobicyclo[2.2.1]hepta-2,5-diene.
Chemical Property Profile of 2-Chloronorbornadiene
Property Insights of 2-Chloronorbornadiene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloronorbornadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloronorbornadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloronorbornadiene 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-Chloronorbornadiene?
The CAS number of 2-Chloronorbornadiene is 2294-41-9.
What is the molecular formula of 2-Chloronorbornadiene?
The molecular formula of 2-Chloronorbornadiene is C1C2C=CC1C(=C2)Cl.
What is the molecular weight of 2-Chloronorbornadiene?
The molecular weight of 2-Chloronorbornadiene is 126.02 g/mol.
Where can I buy 2-Chloronorbornadiene?
You can request a quote for 2-Chloronorbornadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloronorbornadiene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloronorbornadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.