![3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one structure](/static/products/796/796876-97-6.png)
3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one
TL;DR: 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one (CAS 796876-97-6) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
Also Known As: 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)isobenzofuran-1(3H)-one, 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one, 3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 5.2897 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 931.194 |
Chemical Identifiers
| CAS Number | 796876-97-6 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=CC=CC=C4C(=O)O3 |
Product Overview
3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one (CAS 796876-97-6), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: 3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one
Property Insights of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one
The XLogP value of 5.2897 indicates that 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one?
The CAS number of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one is 796876-97-6.
What is the molecular formula of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one?
The molecular formula of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one is C21H20N2O2S.
What is the molecular weight of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one?
The molecular weight of 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one is 364.12 g/mol.
Where can I buy 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one?
You can request a quote for 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.