1,3,4,5,6-五氯环己-1-烯
TL;DR: 1,3,4,5,6-五氯环己-1-烯 (CAS 1890-40-0) is a chemical compound with molecular formula C6H5Cl5 and molecular weight 251.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5,6-五氯环己-1-烯
1,3,4,5,6-pentachlorocyclohexene
Also Known As: beta-Pch, beta-Pentachlorocyclohexene, 1,3,4,5,6-pentachlorocyclohexene, PENTACHLOROCYCLOHEXENE, 2,3,4,5,6-pentachlorocyclohexene
| Molecular Formula | C6H5Cl5 |
|---|---|
| Molecular Weight | 251.88 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.88043 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 1890-40-0 |
|---|---|
| SMILES | C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | MQYAVRUCONBHOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4,5,6-五氯环己-1-烯 (CAS 1890-40-0), with molecular formula C6H5Cl5 and molecular weight 251.88 g/mol. IUPAC: 1,3,4,5,6-pentachlorocyclohexene.
Chemical Property Profile of 1,3,4,5,6-五氯环己-1-烯
Property Insights of 1,3,4,5,6-五氯环己-1-烯
The XLogP value of 3.8 indicates that 1,3,4,5,6-五氯环己-1-烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,4,5,6-五氯环己-1-烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,5,6-五氯环己-1-烯 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 1,3,4,5,6-五氯环己-1-烯?
The CAS number of 1,3,4,5,6-五氯环己-1-烯 is 1890-40-0.
What is the molecular formula of 1,3,4,5,6-五氯环己-1-烯?
The molecular formula of 1,3,4,5,6-五氯环己-1-烯 is C6H5Cl5.
What is the molecular weight of 1,3,4,5,6-五氯环己-1-烯?
The molecular weight of 1,3,4,5,6-五氯环己-1-烯 is 251.88 g/mol.
Where can I buy 1,3,4,5,6-五氯环己-1-烯?
You can request a quote for 1,3,4,5,6-五氯环己-1-烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5,6-五氯环己-1-烯?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5,6-五氯环己-1-烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.