ChemDiv1_011910
TL;DR: ChemDiv1_011910 (CAS 314247-91-1) is a chemical compound with molecular formula C18H9BrN2O4S2 and molecular weight 459.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
Also Known As: ChemDiv1_011910, BAS 00777776, 4-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, (Z)-4-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-[(5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C18H9BrN2O4S2 |
|---|---|
| Molecular Weight | 459.92 g/mol |
| LogP | 2.79339 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.9187 |
| Heavy Atoms | 27 |
| Complexity | 1306.6101 |
Chemical Identifiers
| CAS Number | 314247-91-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O |
Product Overview
ChemDiv1_011910 (CAS 314247-91-1), with molecular formula C18H9BrN2O4S2 and molecular weight 459.92 g/mol. IUPAC: 4-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid.
Chemical Property Profile of ChemDiv1_011910
Property Insights of ChemDiv1_011910
The XLogP value of 2.79339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011910. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011910. Following Lipinski's Rule of Five, ChemDiv1_011910 has 2 hydrogen bond donor(s) and 5 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_011910?
The CAS number of ChemDiv1_011910 is 314247-91-1.
What is the molecular formula of ChemDiv1_011910?
The molecular formula of ChemDiv1_011910 is C18H9BrN2O4S2.
What is the molecular weight of ChemDiv1_011910?
The molecular weight of ChemDiv1_011910 is 459.92 g/mol.
Where can I buy ChemDiv1_011910?
You can request a quote for ChemDiv1_011910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011910?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.