BAS 00777872
TL;DR: BAS 00777872 (CAS 5258-50-4) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylpentanoic acid
Also Known As: BAS 00777872, BIM-0048182.P001, AF-399/09656013, 4-methyl-2-[4-oxo-5-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid, 4-methyl-2-[(5E)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.01529 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 1049.3307 |
Chemical Identifiers
| CAS Number | 5258-50-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O |
Product Overview
BAS 00777872 (CAS 5258-50-4), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylpentanoic acid.
Chemical Property Profile of BAS 00777872
Property Insights of BAS 00777872
The XLogP value of 2.01529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00777872. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00777872. Following Lipinski's Rule of Five, BAS 00777872 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 BAS 00777872?
The CAS number of BAS 00777872 is 5258-50-4.
What is the molecular formula of BAS 00777872?
The molecular formula of BAS 00777872 is C17H16N2O4S2.
What is the molecular weight of BAS 00777872?
The molecular weight of BAS 00777872 is 376.06 g/mol.
Where can I buy BAS 00777872?
You can request a quote for BAS 00777872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00777872?
Yes, KEHONG BIO provides custom synthesis services for BAS 00777872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.