Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
TL;DR: Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CAS 445017-96-9) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
Also Known As: Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate, ISOPROPYL 4-(4-CHLOROPHENYL)-5-METHYL-2-(PYRAZINE-2-AMIDO)THIOPHENE-3-CARBOXYLATE, isopropyl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carboxamido)thiophene-3-carboxylate, isopropyl 4-(4-chlorophenyl)-5-methyl-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate, methylethyl 4-(4-chlorophenyl)-5-methyl-2-(pyrazin-2-ylcarbonylamino)thiophene -3-carboxylate
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 4.98442 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 1001.54034 |
Chemical Identifiers
| CAS Number | 445017-96-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=NC=CN=C2)C(=O)OC(C)C)C3=CC=C(C=C3)Cl |
Product Overview
Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CAS 445017-96-9), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
Property Insights of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
The XLogP value of 4.98442 indicates that Propan-2-yl 4-(4-chlorophenyl)-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 Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 4-(4-chlorophenyl)-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 Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The CAS number of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is 445017-96-9.
What is the molecular formula of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The molecular formula of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is C20H18ClN3O3S.
What is the molecular weight of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The molecular weight of Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is 415.08 g/mol.
Where can I buy Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
You can request a quote for Propan-2-yl 4-(4-chlorophenyl)-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 Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.