2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester
TL;DR: 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester (CAS 192064-90-7) is a chemical compound with molecular formula C11H14O4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methyl-2-(thiophen-2-ylmethyl)propanedioate
Also Known As: dimethyl 2-methyl-2-(thiophen-2-ylmethyl)malonate, Dimethyl 2-methyl-2-(thiophen-2-ylmethyl)propanedioate, 2-methyl-2-( 2-thienylmethyl )-propanedioic acid dimethylester, InChI=1/C11H14O4S/c1-11(9(12)14-2,10(13)15-3)7-8-5-4-6-16-8/h4-6H,7H2,1-3H
| Molecular Formula | C11H14O4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 1.6429 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.06128 |
| Heavy Atoms | 16 |
| Complexity | 353.3461 |
Chemical Identifiers
| CAS Number | 192064-90-7 |
|---|---|
| SMILES | CC(CC1=CC=CS1)(C(=O)OC)C(=O)OC |
Product Overview
2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester (CAS 192064-90-7), with molecular formula C11H14O4S and molecular weight 242.06 g/mol. IUPAC: dimethyl 2-methyl-2-(thiophen-2-ylmethyl)propanedioate.
Chemical Property Profile of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester
Property Insights of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester
The XLogP value of 1.6429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester has 0 hydrogen bond donor(s) and 5 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-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester?
The CAS number of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester is 192064-90-7.
What is the molecular formula of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester?
The molecular formula of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester is C11H14O4S.
What is the molecular weight of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester?
The molecular weight of 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester is 242.06 g/mol.
Where can I buy 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester?
You can request a quote for 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(2-thienylmethyl)-propanedioic acid dimethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.