碳氯灵
TL;DR: 碳氯灵 (CAS 297-78-9) is a chemical compound with molecular formula C9H4Cl8O and molecular weight 407.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳氯灵
1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
Also Known As: ISOBENZAN, Telodrin, Omtan, Preparation 948, Isobenson
| Molecular Formula | C9H4Cl8O |
|---|---|
| Molecular Weight | 407.78 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.77115 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
| Melting Point | 248 to 122.2 °C |
| Density | 1.87 |
| Solubility | Sol in ether, acetone, benzene, xylene, heavy aromatic naphtha |
| Vapor Pressure | 1e-05 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 297-78-9 |
|---|---|
| SMILES | C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | LRWHHSXTGZSMSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳氯灵 (CAS 297-78-9), with molecular formula C9H4Cl8O and molecular weight 407.78 g/mol. IUPAC: 1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
Chemical Property Profile of 碳氯灵
Property Insights of 碳氯灵
The XLogP value of 4.6 indicates that 碳氯灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 碳氯灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳氯灵 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 碳氯灵?
The CAS number of 碳氯灵 is 297-78-9.
What is the molecular formula of 碳氯灵?
The molecular formula of 碳氯灵 is C9H4Cl8O.
What is the molecular weight of 碳氯灵?
The molecular weight of 碳氯灵 is 407.78 g/mol.
Where can I buy 碳氯灵?
You can request a quote for 碳氯灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳氯灵?
Yes, KEHONG BIO provides custom synthesis services for 碳氯灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.