RefChem:509778
TL;DR: RefChem:509778 (CAS 477730-24-8) is a chemical compound with molecular formula C26H21BrN4O5S and molecular weight 580.04 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]-2-methoxyphenyl] 3-bromobenzoate
Also Known As: 4-((E)-{[[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)AMINO](OXO)ACETYL]HYDRAZONO}METHYL)-2-METHOXYPHENYL 3-BROMOBENZOATE, 4-((E)-((((3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-YL)amino)(oxo)acetyl)hydrazono)methyl)-2-methoxyphenyl 3-bromobenzoate, 647-549-8, RefChem:509778
| Molecular Formula | C26H21BrN4O5S |
|---|---|
| Molecular Weight | 580.04 g/mol |
| LogP | 4.57768 |
| Topological Polar Surface Area | 129.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.0416 |
| Heavy Atoms | 37 |
| Complexity | 1443.2041 |
Chemical Identifiers
| CAS Number | 477730-24-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC(=O)C4=CC(=CC=C4)Br |
Product Overview
RefChem:509778 (CAS 477730-24-8), with molecular formula C26H21BrN4O5S and molecular weight 580.04 g/mol. IUPAC: [4-[(E)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate.
Chemical Property Profile of RefChem:509778
Property Insights of RefChem:509778
The XLogP value of 4.57768 indicates that RefChem:509778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.88 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509778. Following Lipinski's Rule of Five, RefChem:509778 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:509778?
The CAS number of RefChem:509778 is 477730-24-8.
What is the molecular formula of RefChem:509778?
The molecular formula of RefChem:509778 is C26H21BrN4O5S.
What is the molecular weight of RefChem:509778?
The molecular weight of RefChem:509778 is 580.04 g/mol.
Where can I buy RefChem:509778?
You can request a quote for RefChem:509778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.