BAS 00776672
TL;DR: BAS 00776672 (CAS 5570-63-8) is a chemical compound with molecular formula C22H16N4O3S2 and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: BAS 00776672, AB00089720-01, (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, F0095-2258, F0207-0533
| Molecular Formula | C22H16N4O3S2 |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 2.13051 |
| Topological Polar Surface Area | 81.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.06638 |
| Heavy Atoms | 31 |
| Complexity | 1621.819 |
Chemical Identifiers
| CAS Number | 5570-63-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=C(SC3=S)C4=C5C=CC=CC5=NC4=O)O |
Product Overview
BAS 00776672 (CAS 5570-63-8), with molecular formula C22H16N4O3S2 and molecular weight 448.07 g/mol. IUPAC: 3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of BAS 00776672
Property Insights of BAS 00776672
The XLogP value of 2.13051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00776672. The TPSA of 81.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00776672. Following Lipinski's Rule of Five, BAS 00776672 has 1 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 00776672?
The CAS number of BAS 00776672 is 5570-63-8.
What is the molecular formula of BAS 00776672?
The molecular formula of BAS 00776672 is C22H16N4O3S2.
What is the molecular weight of BAS 00776672?
The molecular weight of BAS 00776672 is 448.07 g/mol.
Where can I buy BAS 00776672?
You can request a quote for BAS 00776672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776672?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.