Methyl 3-(benzylamino)thiophene-2-carboxylate
TL;DR: Methyl 3-(benzylamino)thiophene-2-carboxylate (CAS 112281-92-2) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(benzylamino)thiophene-2-carboxylate
Also Known As: Maybridge3_001422, methyl 3-(benzylamino)thiophene-2-carboxylate, IDI1_012809
Technical Specifications
| Molecular Formula | C13H13NO2S |
| Molecular Weight | 247.0667 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.0667 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | COC(=O)C1=C(C=CS1)NCC2=CC=CC=C2 |
| InChIKey | QGKIQYIWOVGRER-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(benzylamino)thiophene-2-carboxylate
Property Insights of Methyl 3-(benzylamino)thiophene-2-carboxylate
The XLogP value of 3.8 indicates that Methyl 3-(benzylamino)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(benzylamino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(benzylamino)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(benzylamino)thiophene-2-carboxylate?
The CAS number of Methyl 3-(benzylamino)thiophene-2-carboxylate is 112281-92-2.
What is the molecular formula of Methyl 3-(benzylamino)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(benzylamino)thiophene-2-carboxylate is C13H13NO2S.
What is the molecular weight of Methyl 3-(benzylamino)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(benzylamino)thiophene-2-carboxylate is 247.0667 g/mol.
Where can I buy Methyl 3-(benzylamino)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(benzylamino)thiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(benzylamino)thiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(benzylamino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.