1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane
TL;DR: 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane (CAS 231285-83-9) is a chemical compound with molecular formula C8H13Cl2F3O and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-1,2-dichloro-1,1,2-trifluorobutane
Also Known As: 4-butoxy-1,2-dichloro-1,1,2-trifluorobutane, 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane, 1-butoxy-3,4-dichloro-3,4,4-trifluorobutane
| Molecular Formula | C8H13Cl2F3O |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 3.9294 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.02956 |
| Heavy Atoms | 14 |
| Complexity | 159.15561 |
Chemical Identifiers
| CAS Number | 231285-83-9 |
|---|---|
| SMILES | CCCCOCCC(C(F)(F)Cl)(F)Cl |
Product Overview
1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane (CAS 231285-83-9), with molecular formula C8H13Cl2F3O and molecular weight 252.03 g/mol. IUPAC: 4-butoxy-1,2-dichloro-1,1,2-trifluorobutane.
Chemical Property Profile of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane
Property Insights of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane
The XLogP value of 3.9294 indicates that 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane has 0 hydrogen bond donor(s) and 1 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-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane?
The CAS number of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane is 231285-83-9.
What is the molecular formula of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane?
The molecular formula of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane is C8H13Cl2F3O.
What is the molecular weight of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane?
The molecular weight of 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane is 252.03 g/mol.
Where can I buy 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane?
You can request a quote for 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Butoxy)-3,4-dichloro-3,4,4-trifluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.