Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate
TL;DR: Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate (CAS 352555-30-7) is a chemical compound with molecular formula C15H21N3O3S and molecular weight 323.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate
Also Known As: AH-262/37288015, ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate, ethyl 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate, ethyl 4-carbamoyl-5-methyl-3-((3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)thiophene-2-carboxylate, (Z)-ethyl 3-(azepan-2-ylideneamino)-4-carbamoyl-5-methylthiophene-2-carboxylate
Technical Specifications
| Molecular Formula | C15H21N3O3S |
| Molecular Weight | 323.13037 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.13037 Da |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
| SMILES | CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=NCCCCC2 |
| InChIKey | CWOLYEAWYFDDKD-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate
Property Insights of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate 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
What is the CAS number of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate?
The CAS number of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate is 352555-30-7.
What is the molecular formula of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate?
The molecular formula of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate is C15H21N3O3S.
What is the molecular weight of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate?
The molecular weight of Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate is 323.13037 g/mol.
Where can I buy Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate?
You can request a quote for Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(aminocarbonyl)-3-(2-azepanylideneamino)-5-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.