![N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide structure](/static/products/900/900899-37-8.png)
N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide
TL;DR: N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide (CAS 900899-37-8) is a chemical compound with molecular formula C25H17ClN4O2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide
Also Known As: N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide, (Z)-N-(1-(2-(benzylamino)-1-cyano-2-oxoethylidene)-1H-isoindol-3-yl)-3-chlorobenzamide, N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide, N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3-chlorobenzamide
| Molecular Formula | C25H17ClN4O2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.08128 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.104 |
| Heavy Atoms | 32 |
| Complexity | 1306.7721 |
Chemical Identifiers
| CAS Number | 900899-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Cl)/C#N |
Product Overview
N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide (CAS 900899-37-8), with molecular formula C25H17ClN4O2 and molecular weight 440.10 g/mol. IUPAC: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-chlorobenzamide.
Chemical Property Profile of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide
Property Insights of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide
The XLogP value of 4.08128 indicates that N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide 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-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide. Following Lipinski's Rule of Five, N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide has 2 hydrogen bond donor(s) and 4 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-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide?
The CAS number of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide is 900899-37-8.
What is the molecular formula of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide?
The molecular formula of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide is C25H17ClN4O2.
What is the molecular weight of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide?
The molecular weight of N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide is 440.10 g/mol.
Where can I buy N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide?
You can request a quote for N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(benzylcarbamoyl-cyano-methylidene)isoindol-1-yl]-3-chloro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.