![isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate structure](/static/products/4953/495395-99-8.webp)
isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 495395-99-8) is a chemical compound with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(dimethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate, isopropyl 5-(dimethylcarbamoyl)-4-methyl-2-(5-methyl-3-phenylisoxazole-4-carboxamido)thiophene-3-carboxylate, methylethyl 5-(N,N-dimethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenylisoxazol-4 -yl)carbonylamino]thiophene-3-carboxylate, PROPAN-2-YL 5-(DIMETHYLCARBAMOYL)-4-METHYL-2-(5-METHYL-3-PHENYL-1,2-OXAZOLE-4-AMIDO)THIOPHENE-3-CARBOXYLATE, propan-2-yl 5-(dimethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C23H25N3O5S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 4.53924 |
| Topological Polar Surface Area | 101.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1515 |
| Heavy Atoms | 32 |
| Complexity | 1162.0128 |
Chemical Identifiers
| CAS Number | 495395-99-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)N(C)C |
Product Overview
isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 495395-99-8), with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol. IUPAC: propan-2-yl 5-(dimethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
The XLogP value of 4.53924 indicates that isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.74 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 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 isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 495395-99-8.
What is the molecular formula of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is C23H25N3O5S.
What is the molecular weight of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 455.15 g/mol.
Where can I buy isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-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-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.