RefChem:509806
TL;DR: RefChem:509806 (CAS 477729-95-6) is a chemical compound with molecular formula C25H18Cl2N4O4S and molecular weight 540.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Also Known As: 4-[(E)-(2-{2-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)AMINO]-2-OXOACETYL}HYDRAZONO)METHYL]PHENYL 2,4-DICHLOROBENZOATE, 4-((E)-(2-(2-((3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-YL)amino)-2-oxoacetyl)hydrazono)methyl)phenyl 2,4-dichlorobenzoate, 647-476-1, RefChem:509806
| Molecular Formula | C25H18Cl2N4O4S |
|---|---|
| Molecular Weight | 540.04 g/mol |
| LogP | 5.11338 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0426 |
| Heavy Atoms | 36 |
| Complexity | 1410.6477 |
Chemical Identifiers
| CAS Number | 477729-95-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C#N |
Product Overview
RefChem:509806 (CAS 477729-95-6), with molecular formula C25H18Cl2N4O4S and molecular weight 540.04 g/mol. IUPAC: [4-[(E)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of RefChem:509806
Property Insights of RefChem:509806
The XLogP value of 5.11338 indicates that RefChem:509806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509806. Following Lipinski's Rule of Five, RefChem:509806 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:509806?
The CAS number of RefChem:509806 is 477729-95-6.
What is the molecular formula of RefChem:509806?
The molecular formula of RefChem:509806 is C25H18Cl2N4O4S.
What is the molecular weight of RefChem:509806?
The molecular weight of RefChem:509806 is 540.04 g/mol.
Where can I buy RefChem:509806?
You can request a quote for RefChem:509806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509806?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.