![ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate structure](/static/products/830/830352-23-3.png)
ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate
TL;DR: ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate (CAS 830352-23-3) is a chemical compound with molecular formula C25H23N3O6S and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 4-methyl-2-(3-(2-oxobenzo[d]oxazol-3(2H)-yl)propanamido)-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 4-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate, ETHYL 4-METHYL-2-[3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANAMIDO]-5-(PHENYLCARBAMOYL)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H23N3O6S |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 4.42222 |
| Topological Polar Surface Area | 119.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.13077 |
| Heavy Atoms | 35 |
| Complexity | 1451.1434 |
Chemical Identifiers
| CAS Number | 830352-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O |
Product Overview
ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate (CAS 830352-23-3), with molecular formula C25H23N3O6S and molecular weight 493.13 g/mol. IUPAC: ethyl 4-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate
Property Insights of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate
The XLogP value of 4.42222 indicates that ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate has 2 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 ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The CAS number of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate is 830352-23-3.
What is the molecular formula of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The molecular formula of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate is C25H23N3O6S.
What is the molecular weight of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The molecular weight of ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate is 493.13 g/mol.
Where can I buy ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate?
You can request a quote for ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-methyl-2-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.