BAS 00778162
TL;DR: BAS 00778162 (CAS 301356-93-4) 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.
2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]pentanedioic acid
Also Known As: BAS 00778162, 2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid, (Z)-2-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid, 2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, 2-[5-(5-bromo-2-oxo(1H-benzo[d]azolin-3-ylidene))-4-oxo-2-thioxo-1,3-thiazolid in-3-yl]pentanedioic acid
| Molecular Formula | C16H11BrN2O6S2 |
|---|---|
| Molecular Weight | 469.92 g/mol |
| LogP | 1.59649 |
| Topological Polar Surface Area | 129.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.9242 |
| Heavy Atoms | 27 |
| Complexity | 1166.5488 |
Chemical Identifiers
| CAS Number | 301356-93-4 |
|---|---|
| SMILES | C1=CC2=NC(=O)C(=C2C=C1Br)C3=C(N(C(=S)S3)C(CCC(=O)O)C(=O)O)O |
Product Overview
BAS 00778162 (CAS 301356-93-4), with molecular formula C16H11BrN2O6S2 and molecular weight 469.92 g/mol. IUPAC: 2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]pentanedioic acid.
Chemical Property Profile of BAS 00778162
Property Insights of BAS 00778162
The XLogP value of 1.59649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778162. The TPSA of 129.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778162. Following Lipinski's Rule of Five, BAS 00778162 has 3 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 BAS 00778162?
The CAS number of BAS 00778162 is 301356-93-4.
What is the molecular formula of BAS 00778162?
The molecular formula of BAS 00778162 is C16H11BrN2O6S2.
What is the molecular weight of BAS 00778162?
The molecular weight of BAS 00778162 is 469.92 g/mol.
Where can I buy BAS 00778162?
You can request a quote for BAS 00778162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778162?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.