sec-Butyl fluoroformate
TL;DR: sec-Butyl fluoroformate (CAS 352-22-7) is a chemical compound with molecular formula C5H9FO2 and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl carbonofluoridate
Also Known As: sec-Butyl fluoroformate, 2-butyl fluoroformate, butan-2-yl fluoroformate, butan-2-yl carbonofluoridate, Sec-butyl fluoridocarbonate
| Molecular Formula | C5H9FO2 |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.058655 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 352-22-7 |
|---|---|
| SMILES | CCC(C)OC(=O)F |
| InChIKey | DMLLINOAXDZKKI-UHFFFAOYSA-N |
Product Overview
sec-Butyl fluoroformate (CAS 352-22-7), with molecular formula C5H9FO2 and molecular weight 120.06 g/mol. IUPAC: butan-2-yl carbonofluoridate.
Chemical Property Profile of sec-Butyl fluoroformate
Property Insights of sec-Butyl fluoroformate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl fluoroformate. With a topological polar surface area (TPSA) of 26.3 Ų, sec-Butyl fluoroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl fluoroformate has 0 hydrogen bond donor(s) and 3 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 sec-Butyl fluoroformate?
The CAS number of sec-Butyl fluoroformate is 352-22-7.
What is the molecular formula of sec-Butyl fluoroformate?
The molecular formula of sec-Butyl fluoroformate is C5H9FO2.
What is the molecular weight of sec-Butyl fluoroformate?
The molecular weight of sec-Butyl fluoroformate is 120.06 g/mol.
Where can I buy sec-Butyl fluoroformate?
You can request a quote for sec-Butyl fluoroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl fluoroformate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl fluoroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.