methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
TL;DR: methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CAS 495377-89-4) is a chemical compound with molecular formula C18H13Cl2N3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
Also Known As: methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate, methyl 4-(2,4-dichlorophenyl)-5-methyl-2-[(pyrazin-2-ylcarbonyl)amino]thiophene-3-carboxylate, methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazin-2-ylcarbonylamino)thiophene- 3-carboxylate
| Molecular Formula | C18H13Cl2N3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 4.85922 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.00546 |
| Heavy Atoms | 27 |
| Complexity | 1022.19135 |
Chemical Identifiers
| CAS Number | 495377-89-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=NC=CN=C2)C(=O)OC)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CAS 495377-89-4), with molecular formula C18H13Cl2N3O3S and molecular weight 421.01 g/mol. IUPAC: methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
Property Insights of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
The XLogP value of 4.85922 indicates that methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The CAS number of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is 495377-89-4.
What is the molecular formula of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The molecular formula of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is C18H13Cl2N3O3S.
What is the molecular weight of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The molecular weight of methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is 421.01 g/mol.
Where can I buy methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
You can request a quote for methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-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-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,4-dichlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.