6-氯胡椒基氯
TL;DR: 6-氯胡椒基氯 (CAS 23468-31-7) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯胡椒基氯
5-chloro-6-(chloromethyl)-1,3-benzodioxole
Also Known As: 6-Chloropiperonyl chloride, 5-chloro-6-(chloromethyl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-chloro-6-(chloromethyl)-, 5-chloro-6-(chloromethyl)benzo[d][1,3]dioxole, 6-CHLOROPIPERONYLCHLORIDE
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 23468-31-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CCl)Cl |
| InChIKey | APJKOQPCHGXQBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯胡椒基氯 (CAS 23468-31-7), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 5-chloro-6-(chloromethyl)-1,3-benzodioxole.
Chemical Property Profile of 6-氯胡椒基氯
Property Insights of 6-氯胡椒基氯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯胡椒基氯. With a topological polar surface area (TPSA) of 18.5 Ų, 6-氯胡椒基氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯胡椒基氯 has 0 hydrogen bond donor(s) and 2 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 6-氯胡椒基氯?
The CAS number of 6-氯胡椒基氯 is 23468-31-7.
What is the molecular formula of 6-氯胡椒基氯?
The molecular formula of 6-氯胡椒基氯 is C8H6Cl2O2.
What is the molecular weight of 6-氯胡椒基氯?
The molecular weight of 6-氯胡椒基氯 is 203.97 g/mol.
Where can I buy 6-氯胡椒基氯?
You can request a quote for 6-氯胡椒基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯胡椒基氯?
Yes, KEHONG BIO provides custom synthesis services for 6-氯胡椒基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.