2-Chloro-1-methylpropyl acetate
TL;DR: 2-Chloro-1-methylpropyl acetate (CAS 54192-20-0) is a chemical compound with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobutan-2-yl acetate
Also Known As: 3-chlorobutan-2-yl acetate, 3-Chloro-2-butanol acetate, 2-Chloro-1-methylpropyl acetate, 2-Butanol, 3-chloro-, 2-acetate, 2-Chloro-1-methylpropyl acetate #
| Molecular Formula | C6H11ClO2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04475 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 54192-20-0 |
|---|---|
| SMILES | CC(C(C)Cl)OC(=O)C |
| InChIKey | NCIUPQANRXKHMV-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-methylpropyl acetate (CAS 54192-20-0), with molecular formula C6H11ClO2 and molecular weight 150.04 g/mol. IUPAC: 3-chlorobutan-2-yl acetate.
Chemical Property Profile of 2-Chloro-1-methylpropyl acetate
Property Insights of 2-Chloro-1-methylpropyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-methylpropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloro-1-methylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-methylpropyl 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 2-Chloro-1-methylpropyl acetate?
The CAS number of 2-Chloro-1-methylpropyl acetate is 54192-20-0.
What is the molecular formula of 2-Chloro-1-methylpropyl acetate?
The molecular formula of 2-Chloro-1-methylpropyl acetate is C6H11ClO2.
What is the molecular weight of 2-Chloro-1-methylpropyl acetate?
The molecular weight of 2-Chloro-1-methylpropyl acetate is 150.04 g/mol.
Where can I buy 2-Chloro-1-methylpropyl acetate?
You can request a quote for 2-Chloro-1-methylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-methylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-methylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.