RefChem:551551
TL;DR: RefChem:551551 (CAS 68808-69-5) is a chemical compound with molecular formula C26H14Cl3N5O2 and molecular weight 533.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-cyano-2-[3-[1-cyano-2-(3,4-dichloroanilino)-2-oxoethylidene]isoindol-1-ylidene]acetamide
Also Known As: Acetamide, 2-[3-[2-[(4-chlorophenyl)amino]-1-cyano-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene]-2-cyano-N-(3,4-dichlorophenyl)-, N-(4-chlorophenyl)-2-cyano-2-[3-[1-cyano-2-(3,4-dichloroanilino)-2-oxoethylidene]isoindol-1-ylidene]acetamide, Acetamide, 2-(3-(2-((4-chlorophenyl)amino)-1-cyano-2-oxoethylidene)-2,3-dihydro-1H-isoindol-1-ylidene)-2-cyano-N-(3,4-dichlorophenyl)-, ACETAMIDE,2-[3-[2-[(4-CHLOROPHENYL)AMINO]-1-CYANO-2-OXOETHYLIDENE]-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE]-2-CYANO-N-(3,4-DICHLOROPHENYL)-, [3-[2-[(4-chlorophenyl)amino]-1-cyano-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene]-2-cyano-N-(3,4-dichlorophenyl)acetamide
| Molecular Formula | C26H14Cl3N5O2 |
|---|---|
| Molecular Weight | 533.02 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 533.0213 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 68808-69-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)NC2=C(C#N)C(=O)NC4=CC(=C(C=C4)Cl)Cl |
| InChIKey | MTPSHJFXEBIBJC-UHFFFAOYSA-N |
Product Overview
RefChem:551551 (CAS 68808-69-5), with molecular formula C26H14Cl3N5O2 and molecular weight 533.02 g/mol. IUPAC: N-(4-chlorophenyl)-2-cyano-2-[3-[1-cyano-2-(3,4-dichloroanilino)-2-oxoethylidene]isoindol-1-ylidene]acetamide.
Chemical Property Profile of RefChem:551551
Property Insights of RefChem:551551
The XLogP value of 6.5 indicates that RefChem:551551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:551551. Following Lipinski's Rule of Five, RefChem:551551 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551551?
The CAS number of RefChem:551551 is 68808-69-5.
What is the molecular formula of RefChem:551551?
The molecular formula of RefChem:551551 is C26H14Cl3N5O2.
What is the molecular weight of RefChem:551551?
The molecular weight of RefChem:551551 is 533.02 g/mol.
Where can I buy RefChem:551551?
You can request a quote for RefChem:551551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551551?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.