RefChem:815719
TL;DR: RefChem:815719 (CAS 609796-90-9) is a chemical compound with molecular formula C22H17N3O5S2 and molecular weight 467.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(3Z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate, F1423-0476, (Z)-methyl 4-(2-(3-(3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetamido)benzoate, methyl 4-[[2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate, 646-149-0
| Molecular Formula | C22H17N3O5S2 |
|---|---|
| Molecular Weight | 467.06 g/mol |
| LogP | 2.6597 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.06097 |
| Heavy Atoms | 32 |
| Complexity | 1206.3019 |
Chemical Identifiers
| CAS Number | 609796-90-9 |
|---|---|
| SMILES | CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC)/SC1=S |
Product Overview
RefChem:815719 (CAS 609796-90-9), with molecular formula C22H17N3O5S2 and molecular weight 467.06 g/mol. IUPAC: methyl 4-[[2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:815719
Property Insights of RefChem:815719
The XLogP value of 2.6597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:815719. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:815719. Following Lipinski's Rule of Five, RefChem:815719 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:815719?
The CAS number of RefChem:815719 is 609796-90-9.
What is the molecular formula of RefChem:815719?
The molecular formula of RefChem:815719 is C22H17N3O5S2.
What is the molecular weight of RefChem:815719?
The molecular weight of RefChem:815719 is 467.06 g/mol.
Where can I buy RefChem:815719?
You can request a quote for RefChem:815719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:815719?
Yes, KEHONG BIO provides custom synthesis services for RefChem:815719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.