BAS 00872054
TL;DR: BAS 00872054 (CAS 301688-80-2) is a chemical compound with molecular formula C17H14N2O6S2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872054, 4-[(5E)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C17H14N2O6S2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 1.554 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.02933 |
| Heavy Atoms | 27 |
| Complexity | 910.43964 |
Chemical Identifiers
| CAS Number | 301688-80-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)/C(=O)N2CC(=O)O |
Product Overview
BAS 00872054 (CAS 301688-80-2), with molecular formula C17H14N2O6S2 and molecular weight 406.03 g/mol. IUPAC: 4-[(5E)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00872054
Property Insights of BAS 00872054
The XLogP value of 1.554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00872054. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00872054. Following Lipinski's Rule of Five, BAS 00872054 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 BAS 00872054?
The CAS number of BAS 00872054 is 301688-80-2.
What is the molecular formula of BAS 00872054?
The molecular formula of BAS 00872054 is C17H14N2O6S2.
What is the molecular weight of BAS 00872054?
The molecular weight of BAS 00872054 is 406.03 g/mol.
Where can I buy BAS 00872054?
You can request a quote for BAS 00872054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872054?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.