ChemDiv1_009645
TL;DR: ChemDiv1_009645 (CAS 383371-22-0) is a chemical compound with molecular formula C16H11BrN2O6S2 and molecular weight 469.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: ChemDiv1_009645, AB00114536-01, 3-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, (Z)-3-(5-(5-bromo-1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C16H11BrN2O6S2 |
|---|---|
| Molecular Weight | 469.92 g/mol |
| LogP | 1.9264 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.9242 |
| Heavy Atoms | 27 |
| Complexity | 944.83826 |
Chemical Identifiers
| CAS Number | 383371-22-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2CC(=O)O |
Product Overview
ChemDiv1_009645 (CAS 383371-22-0), with molecular formula C16H11BrN2O6S2 and molecular weight 469.92 g/mol. IUPAC: 3-[(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of ChemDiv1_009645
Property Insights of ChemDiv1_009645
The XLogP value of 1.9264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_009645. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009645. Following Lipinski's Rule of Five, ChemDiv1_009645 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_009645?
The CAS number of ChemDiv1_009645 is 383371-22-0.
What is the molecular formula of ChemDiv1_009645?
The molecular formula of ChemDiv1_009645 is C16H11BrN2O6S2.
What is the molecular weight of ChemDiv1_009645?
The molecular weight of ChemDiv1_009645 is 469.92 g/mol.
Where can I buy ChemDiv1_009645?
You can request a quote for ChemDiv1_009645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.