4-Methyl-1-(2-thienyl)-1,3-pentanedione
TL;DR: 4-Methyl-1-(2-thienyl)-1,3-pentanedione (CAS 35819-78-4) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-thiophen-2-ylpentane-1,3-dione
Also Known As: 4-Methyl-1-(2-thienyl)-1,3-pentanedione, 4-methyl-1-(thiophen-2-yl)pentane-1,3-dione, 4-methyl-1-thiophen-2-ylpentane-1,3-dione, 1-(2-Thienyl)-4-methyl-1,3-pentanedione, 1,3-Pentanedione,4-methyl-1-(2-thienyl)-
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 35819-78-4 |
|---|---|
| SMILES | CC(C)C(=O)CC(=O)C1=CC=CS1 |
| InChIKey | XRTHXGCCCJCFGT-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-(2-thienyl)-1,3-pentanedione (CAS 35819-78-4), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 4-methyl-1-thiophen-2-ylpentane-1,3-dione.
Chemical Property Profile of 4-Methyl-1-(2-thienyl)-1,3-pentanedione
Property Insights of 4-Methyl-1-(2-thienyl)-1,3-pentanedione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-(2-thienyl)-1,3-pentanedione. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1-(2-thienyl)-1,3-pentanedione. Following Lipinski's Rule of Five, 4-Methyl-1-(2-thienyl)-1,3-pentanedione 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 4-Methyl-1-(2-thienyl)-1,3-pentanedione?
The CAS number of 4-Methyl-1-(2-thienyl)-1,3-pentanedione is 35819-78-4.
What is the molecular formula of 4-Methyl-1-(2-thienyl)-1,3-pentanedione?
The molecular formula of 4-Methyl-1-(2-thienyl)-1,3-pentanedione is C10H12O2S.
What is the molecular weight of 4-Methyl-1-(2-thienyl)-1,3-pentanedione?
The molecular weight of 4-Methyl-1-(2-thienyl)-1,3-pentanedione is 196.06 g/mol.
Where can I buy 4-Methyl-1-(2-thienyl)-1,3-pentanedione?
You can request a quote for 4-Methyl-1-(2-thienyl)-1,3-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-(2-thienyl)-1,3-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-(2-thienyl)-1,3-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.