methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-03-7) is a chemical compound with molecular formula C23H22N2O2S2 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate, methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate, Methyl 2-[(6-methyl3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate, methyl 2-{[(6-methyl(1,2,3,4-tetrahydroquinolyl))thioxomethyl]amino}-5-phenylt hiophene-3-carboxylate, methyl 2-{[(6-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate
| Molecular Formula | C23H22N2O2S2 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 5.65972 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.11227 |
| Heavy Atoms | 29 |
| Complexity | 1059.9948 |
Chemical Identifiers
| CAS Number | 590352-03-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(CCC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC |
Product Overview
methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-03-7), with molecular formula C23H22N2O2S2 and molecular weight 422.11 g/mol. IUPAC: methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 5.65972 indicates that methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 590352-03-7.
What is the molecular formula of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate is C23H22N2O2S2.
What is the molecular weight of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 422.11 g/mol.
Where can I buy methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-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 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.