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Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate (CAS 588693-03-2) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-iminochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: METHYL 2-(2-IMINO-2H-CHROMENE-3-AMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-(2-imino-2H-chromene-3-carboxamido)-5-methylthiophene-3-carboxylate, methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate, Methyl 2-[(2-iminochromene-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylate, methyl 2-[(2-iminochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 3.32109 |
| Topological Polar Surface Area | 92.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 1003.23834 |
Chemical Identifiers
| CAS Number | 588693-03-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=N)C(=O)OC |
Product Overview
Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate (CAS 588693-03-2), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: methyl 2-[(2-iminochromene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate
The XLogP value of 3.32109 indicates that Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate has 2 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 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate is 588693-03-2.
What is the molecular formula of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate is C17H14N2O4S.
What is the molecular weight of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate is 342.07 g/mol.
Where can I buy Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-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-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-iminochromen-3-yl)carbonylamino]-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.