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Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate
TL;DR: Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate (CAS 33951-33-6) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-cyanoacetyl)amino]-5-propan-2-ylthiophene-3-carboxylate
Also Known As: methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate, 1-Bromo-2-(methylsulfonyl)benzene, methyl 2-(2-cyanoacetamido)-5-isopropylthiophene-3-carboxylate, methyl 2-[(2-cyanoacetyl)amino]-5-propan-2-ylthiophene-3-carboxylate, methyl 2-(2-cyanoacetamido)-5-(propan-2-yl)thiophene-3-carboxylate
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.51028 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 499.91107 |
Chemical Identifiers
| CAS Number | 33951-33-6 |
|---|---|
| SMILES | CC(C)C1=CC(=C(S1)NC(=O)CC#N)C(=O)OC |
Product Overview
Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate (CAS 33951-33-6), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: methyl 2-[(2-cyanoacetyl)amino]-5-propan-2-ylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate
Property Insights of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate
The XLogP value of 2.51028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate has 1 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 Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate is 33951-33-6.
What is the molecular formula of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate is C12H14N2O3S.
What is the molecular weight of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate is 266.07 g/mol.
Where can I buy Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-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-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(cyanoacetyl)amino]-5-isopropylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.