![METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE structure](/static/products/5460/546090-59-9.webp)
METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 546090-59-9) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate, methyl 2-(2-cyanoacetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, Methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 1.3971 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 628.09625 |
Chemical Identifiers
| CAS Number | 546090-59-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CC#N)C(=O)N(C)C |
Product Overview
METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 546090-59-9), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE
The XLogP value of 1.3971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-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 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE is 546090-59-9.
What is the molecular formula of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE is C13H15N3O4S.
What is the molecular weight of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE is 309.08 g/mol.
Where can I buy METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE?
You can request a quote for METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-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 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.