![isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate structure](/static/products/4450/445014-84-6.webp)
isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
TL;DR: isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate (CAS 445014-84-6) is a chemical compound with molecular formula C25H21NO5S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate, propan-2-yl 5-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate, methylethyl 5-methyl-2-[(2-oxochromen-3-yl)carbonylamino]-4-phenylthiophene-3- carboxylate, PROPAN-2-YL 5-METHYL-2-(2-OXO-2H-CHROMENE-3-AMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE, propan-2-yl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C25H21NO5S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 5.64742 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.11404 |
| Heavy Atoms | 32 |
| Complexity | 1368.3638 |
Chemical Identifiers
| CAS Number | 445014-84-6 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC(C)C)C4=CC=CC=C4 |
Product Overview
isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate (CAS 445014-84-6), with molecular formula C25H21NO5S and molecular weight 447.11 g/mol. IUPAC: propan-2-yl 5-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
Property Insights of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
The XLogP value of 5.64742 indicates that isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate?
The CAS number of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate is 445014-84-6.
What is the molecular formula of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate is C25H21NO5S.
What is the molecular weight of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate is 447.11 g/mol.
Where can I buy isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-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 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.