Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate
TL;DR: Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate (CAS 444936-47-4) is a chemical compound with molecular formula C21H19NO3S and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-benzamido-4-phenylthiophene-3-carboxylate
Also Known As: isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate, propan-2-yl 2-benzamido-4-phenylthiophene-3-carboxylate, ISOPROPYL 2-BENZAMIDO-4-PHENYLTHIOPHENE-3-CARBOXYLATE, propan-2-yl 4-phenyl-2-[(phenylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C21H19NO3S |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 5.2326 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.10855 |
| Heavy Atoms | 26 |
| Complexity | 901.5203 |
Chemical Identifiers
| CAS Number | 444936-47-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate (CAS 444936-47-4), with molecular formula C21H19NO3S and molecular weight 365.11 g/mol. IUPAC: propan-2-yl 2-benzamido-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate
Property Insights of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate
The XLogP value of 5.2326 indicates that Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate 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-(benzoylamino)-4-phenyl-3-thiophenecarboxylate?
The CAS number of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate is 444936-47-4.
What is the molecular formula of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate?
The molecular formula of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate is C21H19NO3S.
What is the molecular weight of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate?
The molecular weight of Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate is 365.11 g/mol.
Where can I buy Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate?
You can request a quote for Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-(benzoylamino)-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.