1,1,2,3,4-Pentachlorobutane
TL;DR: 1,1,2,3,4-Pentachlorobutane (CAS 77753-24-3) is a chemical compound with molecular formula C4H5Cl5 and molecular weight 227.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,4-pentachlorobutane
Also Known As: Pentachlorobutane, BUTANE, PENTACHLORO-, 1,1,2,3,4-PENTACHLOROBUTANE, Sodium 2-methoxyethane-1-olate, RefChem:1051692
| Molecular Formula | C4H5Cl5 |
|---|---|
| Molecular Weight | 227.88 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.88043 |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 77753-24-3 |
|---|---|
| SMILES | C(C(C(C(Cl)Cl)Cl)Cl)Cl |
| InChIKey | AGCPZMJBXSCWQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2,3,4-Pentachlorobutane (CAS 77753-24-3), with molecular formula C4H5Cl5 and molecular weight 227.88 g/mol. IUPAC: 1,1,2,3,4-pentachlorobutane.
Chemical Property Profile of 1,1,2,3,4-Pentachlorobutane
Property Insights of 1,1,2,3,4-Pentachlorobutane
The XLogP value of 3.5 indicates that 1,1,2,3,4-Pentachlorobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,3,4-Pentachlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,3,4-Pentachlorobutane 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 1,1,2,3,4-Pentachlorobutane?
The CAS number of 1,1,2,3,4-Pentachlorobutane is 77753-24-3.
What is the molecular formula of 1,1,2,3,4-Pentachlorobutane?
The molecular formula of 1,1,2,3,4-Pentachlorobutane is C4H5Cl5.
What is the molecular weight of 1,1,2,3,4-Pentachlorobutane?
The molecular weight of 1,1,2,3,4-Pentachlorobutane is 227.88 g/mol.
Where can I buy 1,1,2,3,4-Pentachlorobutane?
You can request a quote for 1,1,2,3,4-Pentachlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,3,4-Pentachlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,3,4-Pentachlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.