RefChem:573993
TL;DR: RefChem:573993 (CAS 59583-77-6) is a chemical compound with molecular formula C24H24Cl2N4O2 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-butyl-4-(2,2-dicyanoethenyl)-3-methylanilino]ethyl N-(3,4-dichlorophenyl)carbamate
Also Known As: Carbamic acid, (3,4-dichlorophenyl)-, 2-[butyl[4-(2,2-dicyanoethenyl)-3-methylphenyl]amino]ethyl ester, ethyl 2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetate, 2-[Butyl[4-(2,2-dicyanovinyl)-3-methylphenyl]amino]ethyl (3,4-dichlorophenyl)carbamate, Carbamic acid, (3,4-dichlorophenyl)-, 2-(butyl(4-(2,2-dicyanoethenyl)-3-methylphenyl)amino)ethyl ester, Carbamic acid, N-(3,4-dichlorophenyl)-, 2-(butyl(4-(2,2-dicyanoethenyl)-3-methylphenyl)amino)ethyl ester
| Molecular Formula | C24H24Cl2N4O2 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.12762 |
| Heavy Atoms | 32 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 59583-77-6 |
|---|---|
| SMILES | CCCCN(CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C=C(C#N)C#N)C |
| InChIKey | YCNGUBLHXKRMKK-UHFFFAOYSA-N |
Product Overview
RefChem:573993 (CAS 59583-77-6), with molecular formula C24H24Cl2N4O2 and molecular weight 470.13 g/mol. IUPAC: 2-[N-butyl-4-(2,2-dicyanoethenyl)-3-methylanilino]ethyl N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of RefChem:573993
Property Insights of RefChem:573993
The XLogP value of 6.3 indicates that RefChem:573993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:573993. Following Lipinski's Rule of Five, RefChem:573993 has 1 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:573993?
The CAS number of RefChem:573993 is 59583-77-6.
What is the molecular formula of RefChem:573993?
The molecular formula of RefChem:573993 is C24H24Cl2N4O2.
What is the molecular weight of RefChem:573993?
The molecular weight of RefChem:573993 is 470.13 g/mol.
Where can I buy RefChem:573993?
You can request a quote for RefChem:573993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:573993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:573993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.