Sec-butoxide
TL;DR: Sec-butoxide (CAS 13020-06-9) is a chemical compound with molecular formula C4H9O- and molecular weight 73.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-olate
Also Known As: Butan-2-olate, sec-butoxide, sec-Butyl hydroxide, sec-butyl hydroperoxide, Hydroperoxide,1-methylpropyl
| Molecular Formula | C4H9O- |
|---|---|
| Molecular Weight | 73.07 g/mol |
| LogP | 0.1452 |
| Topological Polar Surface Area | 23.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.06534 |
| Heavy Atoms | 5 |
| Complexity | 17.60964 |
Chemical Identifiers
| CAS Number | 13020-06-9 |
|---|---|
| SMILES | CCC(C)[O-] |
Product Overview
Sec-butoxide (CAS 13020-06-9), with molecular formula C4H9O- and molecular weight 73.07 g/mol. IUPAC: butan-2-olate.
Chemical Property Profile of Sec-butoxide
Property Insights of Sec-butoxide
The XLogP value of 0.1452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sec-butoxide. With a topological polar surface area (TPSA) of 23.06 Ų, Sec-butoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-butoxide 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 Sec-butoxide?
The CAS number of Sec-butoxide is 13020-06-9.
What is the molecular formula of Sec-butoxide?
The molecular formula of Sec-butoxide is C4H9O-.
What is the molecular weight of Sec-butoxide?
The molecular weight of Sec-butoxide is 73.07 g/mol.
Where can I buy Sec-butoxide?
You can request a quote for Sec-butoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sec-butoxide?
Yes, KEHONG BIO provides custom synthesis services for Sec-butoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.