2-Butanol,1,1-dichloro-1-fluoro-
TL;DR: 2-Butanol,1,1-dichloro-1-fluoro- (CAS 69630-03-1) is a chemical compound with molecular formula C4H7Cl2FO and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-1-fluorobutan-2-ol
Also Known As: SAMP, 1,1-dichloro-1-fluorobutan-2-ol, 2-Butanol,1,1-dichloro-1-fluoro-, KST-1B7723, 4-(4-Sulfophenylazo)-2-mercuriphenol
| Molecular Formula | C4H7Cl2FO |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.9858 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 69630-03-1 |
|---|---|
| SMILES | CCC(C(F)(Cl)Cl)O |
| InChIKey | SMYVIYNRYCBPJF-UHFFFAOYSA-N |
Product Overview
2-Butanol,1,1-dichloro-1-fluoro- (CAS 69630-03-1), with molecular formula C4H7Cl2FO and molecular weight 159.99 g/mol. IUPAC: 1,1-dichloro-1-fluorobutan-2-ol.
Chemical Property Profile of 2-Butanol,1,1-dichloro-1-fluoro-
Property Insights of 2-Butanol,1,1-dichloro-1-fluoro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanol,1,1-dichloro-1-fluoro-. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Butanol,1,1-dichloro-1-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol,1,1-dichloro-1-fluoro- has 1 hydrogen bond donor(s) and 2 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 2-Butanol,1,1-dichloro-1-fluoro-?
The CAS number of 2-Butanol,1,1-dichloro-1-fluoro- is 69630-03-1.
What is the molecular formula of 2-Butanol,1,1-dichloro-1-fluoro-?
The molecular formula of 2-Butanol,1,1-dichloro-1-fluoro- is C4H7Cl2FO.
What is the molecular weight of 2-Butanol,1,1-dichloro-1-fluoro-?
The molecular weight of 2-Butanol,1,1-dichloro-1-fluoro- is 159.99 g/mol.
Where can I buy 2-Butanol,1,1-dichloro-1-fluoro-?
You can request a quote for 2-Butanol,1,1-dichloro-1-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol,1,1-dichloro-1-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol,1,1-dichloro-1-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.