RefChem:449891
TL;DR: RefChem:449891 (CAS 477733-20-3) is a chemical compound with molecular formula C29H19Cl2N3O5S2 and molecular weight 623.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 2-{(E)-[2-(2-{[(4-chlorophenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}phenyl 3-chloro-1-benzothiophene-2-carboxylate, 2-((E)-(2-(2-(((4-CHLOROPHENYL)SULFONYL)AMINO)BENZOYL)HYDRAZONO)METHYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE, 647-309-2, RefChem:449891
| Molecular Formula | C29H19Cl2N3O5S2 |
|---|---|
| Molecular Weight | 623.01 g/mol |
| LogP | 6.992 |
| Topological Polar Surface Area | 113.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 623.01434 |
| Heavy Atoms | 41 |
| Complexity | 1905.7273 |
Chemical Identifiers
| CAS Number | 477733-20-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
RefChem:449891 (CAS 477733-20-3), with molecular formula C29H19Cl2N3O5S2 and molecular weight 623.01 g/mol. IUPAC: [2-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of RefChem:449891
Property Insights of RefChem:449891
The XLogP value of 6.992 indicates that RefChem:449891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449891. Following Lipinski's Rule of Five, RefChem:449891 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:449891?
The CAS number of RefChem:449891 is 477733-20-3.
What is the molecular formula of RefChem:449891?
The molecular formula of RefChem:449891 is C29H19Cl2N3O5S2.
What is the molecular weight of RefChem:449891?
The molecular weight of RefChem:449891 is 623.01 g/mol.
Where can I buy RefChem:449891?
You can request a quote for RefChem:449891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.