1,1-Dichlorobutane
TL;DR: 1,1-Dichlorobutane (CAS 541-33-3) is a chemical compound with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichlorobutane
Also Known As: 1,1-DICHLOROBUTANE, Butylidene chloride, Dichlorobutane, Butane, 1,1-dichloro-, Butane, dichloro-
| Molecular Formula | C4H8Cl2 |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.000305 |
| Heavy Atoms | 6 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 541-33-3 |
|---|---|
| SMILES | CCCC(Cl)Cl |
| InChIKey | SEQRDAAUNCRFIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichlorobutane (CAS 541-33-3), with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol. IUPAC: 1,1-dichlorobutane.
Chemical Property Profile of 1,1-Dichlorobutane
Property Insights of 1,1-Dichlorobutane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichlorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dichlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichlorobutane 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-Dichlorobutane?
The CAS number of 1,1-Dichlorobutane is 541-33-3.
What is the molecular formula of 1,1-Dichlorobutane?
The molecular formula of 1,1-Dichlorobutane is C4H8Cl2.
What is the molecular weight of 1,1-Dichlorobutane?
The molecular weight of 1,1-Dichlorobutane is 126.00 g/mol.
Where can I buy 1,1-Dichlorobutane?
You can request a quote for 1,1-Dichlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.