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Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
TL;DR: Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 438532-76-4) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate, propyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, propyl2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, Thiophene-3-carboxylic acid, 2-amino-4-methyl-5-dimethylaminocarbonyl-, propyl ester
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 438532-76-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)N |
| InChIKey | RMOHHYVQLGLJEM-UHFFFAOYSA-N |
Product Overview
Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate (CAS 438532-76-4), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: propyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
Property Insights of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-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 Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The CAS number of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 438532-76-4.
What is the molecular formula of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular formula of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is C12H18N2O3S.
What is the molecular weight of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
The molecular weight of Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate is 270.10 g/mol.
Where can I buy Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
You can request a quote for Propyl 2-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 Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-amino-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.