Butane, 1,1-dichloro-3-methyl-
TL;DR: Butane, 1,1-dichloro-3-methyl- (CAS 625-66-1) is a chemical compound with molecular formula CC(C)CC(Cl)Cl and molecular weight 140.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-3-methylbutane
Also Known As: 1,1-Dichloro-3-methylbutane, Butane, 1,1-dichloro-3-methyl-, 1,1-dichloro-3-methyl-butane, 1,1-Dichloro-3-methylbutane #, RefChem:122000
| Molecular Formula | CC(C)CC(Cl)Cl |
|---|---|
| Molecular Weight | 140.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.01596 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 625-66-1 |
|---|---|
| SMILES | CC(C)CC(Cl)Cl |
| InChIKey | VXEMJASOVHTHLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1,1-dichloro-3-methyl- (CAS 625-66-1), with molecular formula CC(C)CC(Cl)Cl and molecular weight 140.02 g/mol. IUPAC: 1,1-dichloro-3-methylbutane.
Chemical Property Profile of Butane, 1,1-dichloro-3-methyl-
Property Insights of Butane, 1,1-dichloro-3-methyl-
The XLogP value of 3.3 indicates that Butane, 1,1-dichloro-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Butane, 1,1-dichloro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1,1-dichloro-3-methyl- 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 Butane, 1,1-dichloro-3-methyl-?
The CAS number of Butane, 1,1-dichloro-3-methyl- is 625-66-1.
What is the molecular formula of Butane, 1,1-dichloro-3-methyl-?
The molecular formula of Butane, 1,1-dichloro-3-methyl- is CC(C)CC(Cl)Cl.
What is the molecular weight of Butane, 1,1-dichloro-3-methyl-?
The molecular weight of Butane, 1,1-dichloro-3-methyl- is 140.02 g/mol.
Where can I buy Butane, 1,1-dichloro-3-methyl-?
You can request a quote for Butane, 1,1-dichloro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1,1-dichloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1,1-dichloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.