Methyl 3,4,5-trichlorothiophene-2-carboxylate
TL;DR: Methyl 3,4,5-trichlorothiophene-2-carboxylate (CAS 81730-18-9) is a chemical compound with molecular formula C6H3Cl3O2S and molecular weight 243.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-trichlorothiophene-2-carboxylate
Also Known As: methyl 3,4,5-trichlorothiophene-2-carboxylate, Methyl 2,3,4-trichlorothiophene-5-carboxylate, Methyl 3,4,5-trichloro-2-thiophenecarboxylate, AJ-292/11894013, Methyl 3,4,5-trichloro-2-thiophenecarboxylate #
| Molecular Formula | C6H3Cl3O2S |
|---|---|
| Molecular Weight | 243.89 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.89194 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 81730-18-9 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(S1)Cl)Cl)Cl |
| InChIKey | IMJFUYCKEZGHBY-UHFFFAOYSA-N |
Product Overview
Methyl 3,4,5-trichlorothiophene-2-carboxylate (CAS 81730-18-9), with molecular formula C6H3Cl3O2S and molecular weight 243.89 g/mol. IUPAC: methyl 3,4,5-trichlorothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3,4,5-trichlorothiophene-2-carboxylate
Property Insights of Methyl 3,4,5-trichlorothiophene-2-carboxylate
The XLogP value of 4.0 indicates that Methyl 3,4,5-trichlorothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 3,4,5-trichlorothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4,5-trichlorothiophene-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 3,4,5-trichlorothiophene-2-carboxylate?
The CAS number of Methyl 3,4,5-trichlorothiophene-2-carboxylate is 81730-18-9.
What is the molecular formula of Methyl 3,4,5-trichlorothiophene-2-carboxylate?
The molecular formula of Methyl 3,4,5-trichlorothiophene-2-carboxylate is C6H3Cl3O2S.
What is the molecular weight of Methyl 3,4,5-trichlorothiophene-2-carboxylate?
The molecular weight of Methyl 3,4,5-trichlorothiophene-2-carboxylate is 243.89 g/mol.
Where can I buy Methyl 3,4,5-trichlorothiophene-2-carboxylate?
You can request a quote for Methyl 3,4,5-trichlorothiophene-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 3,4,5-trichlorothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-trichlorothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.