sec-Butyl acetate, (+)-
TL;DR: sec-Butyl acetate, (+)- (CAS 66610-38-6) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-butan-2-yl] acetate
Also Known As: (+)-sec-Butyl acetate, sec-Butyl acetate, D-, (2S)-2-Acetoxybutane, (+)-2-Butyl acetate, sec-Butyl acetate, (+)-
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.348 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 78.59772 |
Chemical Identifiers
| CAS Number | 66610-38-6 |
|---|---|
| SMILES | CC[C@H](C)OC(=O)C |
Product Overview
sec-Butyl acetate, (+)- (CAS 66610-38-6), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: [(2S)-butan-2-yl] acetate.
Chemical Property Profile of sec-Butyl acetate, (+)-
Property Insights of sec-Butyl acetate, (+)-
The XLogP value of 1.348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl acetate, (+)-. With a topological polar surface area (TPSA) of 26.3 Ų, sec-Butyl acetate, (+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl acetate, (+)- has 0 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 sec-Butyl acetate, (+)-?
The CAS number of sec-Butyl acetate, (+)- is 66610-38-6.
What is the molecular formula of sec-Butyl acetate, (+)-?
The molecular formula of sec-Butyl acetate, (+)- is C6H12O2.
What is the molecular weight of sec-Butyl acetate, (+)-?
The molecular weight of sec-Butyl acetate, (+)- is 116.08 g/mol.
Where can I buy sec-Butyl acetate, (+)-?
You can request a quote for sec-Butyl acetate, (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl acetate, (+)-?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl acetate, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.