Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate
TL;DR: Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate (CAS 6126-08-5) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate
Also Known As: BIM-0030628.P001, propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate, isopropyl 5-(acetylamino)-4-(aminocarbonyl)-3-methyl-2-thiophenecarboxylate
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.67902 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 534.07684 |
Chemical Identifiers
| CAS Number | 6126-08-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C)C(=O)OC(C)C |
Product Overview
Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate (CAS 6126-08-5), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate
Property Insights of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate
The XLogP value of 1.67902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate has 2 hydrogen bond donor(s) and 5 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 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate?
The CAS number of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate is 6126-08-5.
What is the molecular formula of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate?
The molecular formula of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate is C12H16N2O4S.
What is the molecular weight of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate?
The molecular weight of Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate is 284.08 g/mol.
Where can I buy Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate?
You can request a quote for Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-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 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 5-acetamido-4-carbamoyl-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.