1,1,2,2,4-Pentachlorobutane
TL;DR: 1,1,2,2,4-Pentachlorobutane (CAS 34867-74-8) 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.
1,1,2,2,4-pentachlorobutane
Also Known As: 1,1,2,2,4-Pentachlorobutane, EINECS 252-258-0, Butane, 1,1,2,2,4-pentachloro-, Butane,1,1,2,2,4-pentachloro-, 1,1',2,2',4-Pentachlor-n-butan
| Molecular Formula | C4H5Cl5 |
|---|---|
| Molecular Weight | 227.88 g/mol |
| LogP | 3.5929 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.88339 |
| Heavy Atoms | 9 |
| Complexity | 79.02718 |
Chemical Identifiers
| CAS Number | 34867-74-8 |
|---|---|
| SMILES | C(CCl)C(C(Cl)Cl)(Cl)Cl |
Product Overview
1,1,2,2,4-Pentachlorobutane (CAS 34867-74-8), with molecular formula C4H5Cl5 and molecular weight 227.88 g/mol. IUPAC: 1,1,2,2,4-pentachlorobutane.
Chemical Property Profile of 1,1,2,2,4-Pentachlorobutane
Property Insights of 1,1,2,2,4-Pentachlorobutane
The XLogP value of 3.5929 indicates that 1,1,2,2,4-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, 1,1,2,2,4-Pentachlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,2,4-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 1,1,2,2,4-Pentachlorobutane?
The CAS number of 1,1,2,2,4-Pentachlorobutane is 34867-74-8.
What is the molecular formula of 1,1,2,2,4-Pentachlorobutane?
The molecular formula of 1,1,2,2,4-Pentachlorobutane is C4H5Cl5.
What is the molecular weight of 1,1,2,2,4-Pentachlorobutane?
The molecular weight of 1,1,2,2,4-Pentachlorobutane is 227.88 g/mol.
Where can I buy 1,1,2,2,4-Pentachlorobutane?
You can request a quote for 1,1,2,2,4-Pentachlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2,4-Pentachlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2,4-Pentachlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.