![ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/330/330157-90-9.png)
ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 330157-90-9) is a chemical compound with molecular formula C28H25FN2O5S and molecular weight 520.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(Z)-[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (Z)-ethyl 2-((3-((2-fluorophenyl)carbamoyl)-6-methoxy-2H-chromen-2-ylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(2Z)-3-[(2-fluorophenyl)carbamoyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(Z)-[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{[(2Z)-3-[(2-FLUOROPHENYL)CARBAMOYL]-6-METHOXY-2H-CHROMEN-2-YLIDENE]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H25FN2O5S |
|---|---|
| Molecular Weight | 520.15 g/mol |
| LogP | 6.1822 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.14685 |
| Heavy Atoms | 37 |
| Complexity | 1572.8326 |
Chemical Identifiers
| CAS Number | 330157-90-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)/N=C\3/C(=CC4=C(O3)C=CC(=C4)OC)C(=O)NC5=CC=CC=C5F |
Product Overview
ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 330157-90-9), with molecular formula C28H25FN2O5S and molecular weight 520.15 g/mol. IUPAC: ethyl 2-[(Z)-[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.1822 indicates that ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 330157-90-9.
What is the molecular formula of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H25FN2O5S.
What is the molecular weight of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 520.15 g/mol.
Where can I buy ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({3-[(2-fluoroanilino)carbonyl]-6-methoxy-2H-chromen-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.