METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 588692-95-9) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 5-(dimethylcarbamoyl)-2-(2-imino-2H-chromene-3-carboxamido)-4-methylthiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-2-{[(2-imino-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate, methyl 5-(N,N-dimethylcarbamoyl)-2-[(2-iminochromen-3-yl)carbonylamino]-4-meth ylthiophene-3-carboxylate
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.02289 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 1192.5352 |
Chemical Identifiers
| CAS Number | 588692-95-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC2=N)C(=O)N(C)C |
Product Overview
METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 588692-95-9), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE
The XLogP value of 3.02289 indicates that METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE has 2 hydrogen bond donor(s) and 7 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 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE is 588692-95-9.
What is the molecular formula of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE is C20H19N3O5S.
What is the molecular weight of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE is 413.10 g/mol.
Where can I buy METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE?
You can request a quote for METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-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 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 5-(DIMETHYLCARBAMOYL)-2-(2-IMINO-2H-CHROMENE-3-AMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.