Isobutyl 3-thienylacetate
TL;DR: Isobutyl 3-thienylacetate (CAS 94023-53-7) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-thiophen-3-ylacetate
Also Known As: Isobutyl 3-thienylacetate, EINECS 301-651-6, 2-methylpropyl 2-thiophen-3-ylacetate, 3-Thiopheneacetic acid isobutyl ester, 2-Methylpropyl (thiophen-3-yl)acetate
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.4898 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 251.89828 |
Chemical Identifiers
| CAS Number | 94023-53-7 |
|---|---|
| SMILES | CC(C)COC(=O)CC1=CSC=C1 |
Product Overview
Isobutyl 3-thienylacetate (CAS 94023-53-7), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: 2-methylpropyl 2-thiophen-3-ylacetate.
Chemical Property Profile of Isobutyl 3-thienylacetate
Property Insights of Isobutyl 3-thienylacetate
The XLogP value of 2.4898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3-thienylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 3-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 3-thienylacetate 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 Isobutyl 3-thienylacetate?
The CAS number of Isobutyl 3-thienylacetate is 94023-53-7.
What is the molecular formula of Isobutyl 3-thienylacetate?
The molecular formula of Isobutyl 3-thienylacetate is C10H14O2S.
What is the molecular weight of Isobutyl 3-thienylacetate?
The molecular weight of Isobutyl 3-thienylacetate is 198.07 g/mol.
Where can I buy Isobutyl 3-thienylacetate?
You can request a quote for Isobutyl 3-thienylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 3-thienylacetate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 3-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.