Methyl 4,5-dimethylthiophene-2-carboxylate
TL;DR: Methyl 4,5-dimethylthiophene-2-carboxylate (CAS 168850-69-9) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethylthiophene-2-carboxylate
Also Known As: Methyl 4,5-dimethylthiophene-2-carboxylate, Methyl4,5-dimethylthiophene-2-carboxylate, 2-Thiophenecarboxylicacid, 4,5-dimethyl-, methyl ester
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.15154 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 256.11948 |
Chemical Identifiers
| CAS Number | 168850-69-9 |
|---|---|
| SMILES | CC1=C(SC(=C1)C(=O)OC)C |
Product Overview
Methyl 4,5-dimethylthiophene-2-carboxylate (CAS 168850-69-9), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: methyl 4,5-dimethylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethylthiophene-2-carboxylate
Property Insights of Methyl 4,5-dimethylthiophene-2-carboxylate
The XLogP value of 2.15154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4,5-dimethylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,5-dimethylthiophene-2-carboxylate 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 Methyl 4,5-dimethylthiophene-2-carboxylate?
The CAS number of Methyl 4,5-dimethylthiophene-2-carboxylate is 168850-69-9.
What is the molecular formula of Methyl 4,5-dimethylthiophene-2-carboxylate?
The molecular formula of Methyl 4,5-dimethylthiophene-2-carboxylate is C8H10O2S.
What is the molecular weight of Methyl 4,5-dimethylthiophene-2-carboxylate?
The molecular weight of Methyl 4,5-dimethylthiophene-2-carboxylate is 170.04 g/mol.
Where can I buy Methyl 4,5-dimethylthiophene-2-carboxylate?
You can request a quote for Methyl 4,5-dimethylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dimethylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.