RefChem:474222
TL;DR: RefChem:474222 (CAS 477729-14-9) is a chemical compound with molecular formula C25H18BrN5O5S and molecular weight 579.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Also Known As: 2-METHOXY-4-[(E)-({OXO[(5-PHENYL-1,3,4-THIADIAZOL-2-YL)AMINO]ACETYL}HYDRAZONO)METHYL]PHENYL 3-BROMOBENZOATE, 2-METHOXY-4-((E)-((OXO((5-PHENYL-1,3,4-THIADIAZOL-2-YL)AMINO)ACETYL)HYDRAZONO)METHYL)PHENYL 3-BROMOBENZOATE, 646-425-0, RefChem:474222
| Molecular Formula | C25H18BrN5O5S |
|---|---|
| Molecular Weight | 579.02 g/mol |
| LogP | 4.2842 |
| Topological Polar Surface Area | 131.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 579.0212 |
| Heavy Atoms | 37 |
| Complexity | 1475.3461 |
Chemical Identifiers
| CAS Number | 477729-14-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=NN=C(S2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Br |
Product Overview
RefChem:474222 (CAS 477729-14-9), with molecular formula C25H18BrN5O5S and molecular weight 579.02 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of RefChem:474222
Property Insights of RefChem:474222
The XLogP value of 4.2842 indicates that RefChem:474222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:474222. Following Lipinski's Rule of Five, RefChem:474222 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:474222?
The CAS number of RefChem:474222 is 477729-14-9.
What is the molecular formula of RefChem:474222?
The molecular formula of RefChem:474222 is C25H18BrN5O5S.
What is the molecular weight of RefChem:474222?
The molecular weight of RefChem:474222 is 579.02 g/mol.
Where can I buy RefChem:474222?
You can request a quote for RefChem:474222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:474222?
Yes, KEHONG BIO provides custom synthesis services for RefChem:474222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.