Isobornyl alpha-(methylthio)acetate
TL;DR: Isobornyl alpha-(methylthio)acetate (CAS 77069-64-8) is a chemical compound with molecular formula C13H22O2S and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylsulfanylacetate
Also Known As: IB Amta, Isobornyl alpha-(methylthio)acetate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylsulfanylacetate, (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-methylsulfanylacetate, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl (methylsulfanyl)acetate
| Molecular Formula | C13H22O2S |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.13405 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 77069-64-8 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)CSC)C)C |
| InChIKey | HDUKQYPQUVZPGD-UHFFFAOYSA-N |
Product Overview
Isobornyl alpha-(methylthio)acetate (CAS 77069-64-8), with molecular formula C13H22O2S and molecular weight 242.13 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylsulfanylacetate.
Chemical Property Profile of Isobornyl alpha-(methylthio)acetate
Property Insights of Isobornyl alpha-(methylthio)acetate
The XLogP value of 4.0 indicates that Isobornyl alpha-(methylthio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Isobornyl alpha-(methylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl alpha-(methylthio)acetate 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 Isobornyl alpha-(methylthio)acetate?
The CAS number of Isobornyl alpha-(methylthio)acetate is 77069-64-8.
What is the molecular formula of Isobornyl alpha-(methylthio)acetate?
The molecular formula of Isobornyl alpha-(methylthio)acetate is C13H22O2S.
What is the molecular weight of Isobornyl alpha-(methylthio)acetate?
The molecular weight of Isobornyl alpha-(methylthio)acetate is 242.13 g/mol.
Where can I buy Isobornyl alpha-(methylthio)acetate?
You can request a quote for Isobornyl alpha-(methylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobornyl alpha-(methylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isobornyl alpha-(methylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.