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Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate
TL;DR: Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate (CAS 744973-72-6) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
Also Known As: methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate, METHYL 3-METHYL-5-[(PHENOXYCARBONYL)AMINO]-1,2-THIAZOLE-4-CARBOXYLATE, methyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate, Methyl 3-methyl-5-((phenoxycarbonyl)amino)isothiazole-4-carboxylate, 4-Isothiazolecarboxylic acid, 3-methyl-5-[(phenoxycarbonyl)amino]-, methyl ester
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.84902 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 624.55634 |
Chemical Identifiers
| CAS Number | 744973-72-6 |
|---|---|
| SMILES | CC1=NSC(=C1C(=O)OC)NC(=O)OC2=CC=CC=C2 |
Product Overview
Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate (CAS 744973-72-6), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: methyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate.
Chemical Property Profile of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate
Property Insights of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate
The XLogP value of 2.84902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-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 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate?
The CAS number of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate is 744973-72-6.
What is the molecular formula of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate?
The molecular formula of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate is C13H12N2O4S.
What is the molecular weight of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate?
The molecular weight of Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate is 292.05 g/mol.
Where can I buy Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate?
You can request a quote for Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-5-[(phenoxycarbonyl)amino]isothiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.