![N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide structure](/static/products/7289/728924-59-2.webp)
N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide
TL;DR: N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide (CAS 728924-59-2) is a chemical compound with molecular formula C21H17FN4O3 and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3E)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide
Also Known As: N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide, N-[(3E)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide
| Molecular Formula | C21H17FN4O3 |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 2.01318 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.12848 |
| Heavy Atoms | 29 |
| Complexity | 1052.3411 |
Chemical Identifiers
| CAS Number | 728924-59-2 |
|---|---|
| SMILES | COCCNC(=O)/C(=C/1\C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)F)/C#N |
Product Overview
N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide (CAS 728924-59-2), with molecular formula C21H17FN4O3 and molecular weight 392.13 g/mol. IUPAC: N-[(3E)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide.
Chemical Property Profile of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide
Property Insights of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide
The XLogP value of 2.01318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide 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-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide?
The CAS number of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide is 728924-59-2.
What is the molecular formula of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide?
The molecular formula of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide is C21H17FN4O3.
What is the molecular weight of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide?
The molecular weight of N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide is 392.13 g/mol.
Where can I buy N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide?
You can request a quote for N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.