Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate
TL;DR: Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate (CAS 438197-25-2) is a chemical compound with molecular formula C19H25NO2S and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
Also Known As: isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate, propan-2-yl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate, isopropyl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate, isopropyl 2-amino-4-(4-isobutylphenyl)-5-methyl-thiophene-3-carboxylate, isopropyl2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H25NO2S |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 5.06942 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1606 |
| Heavy Atoms | 23 |
| Complexity | 684.1403 |
Chemical Identifiers
| CAS Number | 438197-25-2 |
|---|---|
| SMILES | CC1=C(C(=C(S1)N)C(=O)OC(C)C)C2=CC=C(C=C2)CC(C)C |
Product Overview
Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate (CAS 438197-25-2), with molecular formula C19H25NO2S and molecular weight 331.16 g/mol. IUPAC: propan-2-yl 2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate
Property Insights of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 5.06942 indicates that Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-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, Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate?
The CAS number of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate is 438197-25-2.
What is the molecular formula of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate is C19H25NO2S.
What is the molecular weight of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate is 331.16 g/mol.
Where can I buy Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for Isopropyl 2-amino-4-(4-isobutylphenyl)-5-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 Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.