Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (CAS 119205-38-8) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate, methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate, 3282AA, 3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, J2.914.619E
Technical Specifications
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.0667 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0667 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | COC(=O)C1=C(C2=C(S1)CCCC2)N |
| InChIKey | WBBFZXDFNCRFGM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-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-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 119205-38-8.
What is the molecular formula of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is C10H13NO2S.
What is the molecular weight of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate is 211.0667 g/mol.
Where can I buy Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.