Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate
TL;DR: Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate (CAS 160133-79-9) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate
Also Known As: methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate, J1.773.841K, Methyl 3-amino-4-(4-methylphenyl)-thiophene-2, 3-Amino-4-methyl-5-phenylthiophene-2-carboxylic acid methyl ester, Methyl 3-amino-4-methyl-5-phenyl-2-thiophenecarboxylate
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.09232 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 546.0471 |
Chemical Identifiers
| CAS Number | 160133-79-9 |
|---|---|
| SMILES | CC1=C(SC(=C1N)C(=O)OC)C2=CC=CC=C2 |
Product Overview
Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate (CAS 160133-79-9), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate
Property Insights of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate
The XLogP value of 3.09232 indicates that Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-methyl-5-phenylthiophene-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
Frequently Asked Questions
What is the CAS number of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate is 160133-79-9.
What is the molecular formula of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate is C13H13NO2S.
What is the molecular weight of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate is 247.07 g/mol.
Where can I buy Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.