BAS 00778594
TL;DR: BAS 00778594 (CAS 324072-02-8) is a chemical compound with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778594, ethyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-((E)-styryl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 3.2001 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 1612.0503 |
Chemical Identifiers
| CAS Number | 324072-02-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)/C=C/C5=CC=CC=C5)/C1=O |
Product Overview
BAS 00778594 (CAS 324072-02-8), with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol. IUPAC: ethyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778594
Property Insights of BAS 00778594
The XLogP value of 3.2001 indicates that BAS 00778594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778594. Following Lipinski's Rule of Five, BAS 00778594 has 0 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 00778594?
The CAS number of BAS 00778594 is 324072-02-8.
What is the molecular formula of BAS 00778594?
The molecular formula of BAS 00778594 is C28H25N3O4S.
What is the molecular weight of BAS 00778594?
The molecular weight of BAS 00778594 is 499.16 g/mol.
Where can I buy BAS 00778594?
You can request a quote for BAS 00778594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778594?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.