![N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide structure](/static/products/900/900882-83-9.png)
N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide
TL;DR: N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide (CAS 900882-83-9) is a chemical compound with molecular formula C22H13FN4O2S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
Also Known As: N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide, (Z)-N-(1-(1-cyano-2-((4-fluorophenyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)thiophene-2-carboxamide, N-[(1Z)-1-{1-cyano-2-[(4-fluorophenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]thiophene-2-carboxamide, N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
| Molecular Formula | C22H13FN4O2S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 3.95078 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.0743 |
| Heavy Atoms | 30 |
| Complexity | 1238.8969 |
Chemical Identifiers
| CAS Number | 900882-83-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C(\C#N)/C(=O)NC3=CC=C(C=C3)F)/N=C2NC(=O)C4=CC=CS4 |
Product Overview
N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide (CAS 900882-83-9), with molecular formula C22H13FN4O2S and molecular weight 416.07 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(4-fluoroanilino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide.
Chemical Property Profile of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide
Property Insights of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide
The XLogP value of 3.95078 indicates that N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 5 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 N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide?
The CAS number of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide is 900882-83-9.
What is the molecular formula of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide?
The molecular formula of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide is C22H13FN4O2S.
What is the molecular weight of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide?
The molecular weight of N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide is 416.07 g/mol.
Where can I buy N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide?
You can request a quote for N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-[cyano-[(4-fluorophenyl)carbamoyl]methylidene]isoindol-1-yl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.