Ethyl 3,4,5-trichloro-2-thiophenecarboxylate
TL;DR: Ethyl 3,4,5-trichloro-2-thiophenecarboxylate (CAS 81730-19-0) is a chemical compound with molecular formula C7H5Cl3O2S and molecular weight 257.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4,5-trichlorothiophene-2-carboxylate
Also Known As: ethyl 3,4,5-trichloro-2-thiophenecarboxylate, ethyl 3,4,5-trichlorothiophene-2-carboxylate, J1.427.694G, AJ-292/11894014, 3,4,5-Trichlorothiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C7H5Cl3O2S |
|---|---|
| Molecular Weight | 257.91 g/mol |
| LogP | 3.885 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.9076 |
| Heavy Atoms | 13 |
| Complexity | 334.7238 |
Chemical Identifiers
| CAS Number | 81730-19-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)Cl)Cl)Cl |
Product Overview
Ethyl 3,4,5-trichloro-2-thiophenecarboxylate (CAS 81730-19-0), with molecular formula C7H5Cl3O2S and molecular weight 257.91 g/mol. IUPAC: ethyl 3,4,5-trichlorothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate
Property Insights of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate
The XLogP value of 3.885 indicates that Ethyl 3,4,5-trichloro-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,4,5-trichloro-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4,5-trichloro-2-thiophenecarboxylate 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 Ethyl 3,4,5-trichloro-2-thiophenecarboxylate?
The CAS number of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate is 81730-19-0.
What is the molecular formula of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate?
The molecular formula of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate is C7H5Cl3O2S.
What is the molecular weight of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate?
The molecular weight of Ethyl 3,4,5-trichloro-2-thiophenecarboxylate is 257.91 g/mol.
Where can I buy Ethyl 3,4,5-trichloro-2-thiophenecarboxylate?
You can request a quote for Ethyl 3,4,5-trichloro-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4,5-trichloro-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4,5-trichloro-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.