BAS 00778459
TL;DR: BAS 00778459 (CAS 313381-22-5) is a chemical compound with molecular formula C24H21N3O4S2 and molecular weight 479.10 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-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778459, Ethyl 2-(1-ethyl-2-oxobenzo[d]azolin-3-ylidene)-7-methyl-3-oxo-5-(2-thienyl)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]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-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H21N3O4S2 |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 2.5965 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.09735 |
| Heavy Atoms | 33 |
| Complexity | 1494.894 |
Chemical Identifiers
| CAS Number | 313381-22-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=CS5)/C1=O |
Product Overview
BAS 00778459 (CAS 313381-22-5), with molecular formula C24H21N3O4S2 and molecular weight 479.10 g/mol. IUPAC: ethyl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778459
Property Insights of BAS 00778459
The XLogP value of 2.5965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778459. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778459. Following Lipinski's Rule of Five, BAS 00778459 has 0 hydrogen bond donor(s) and 7 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 00778459?
The CAS number of BAS 00778459 is 313381-22-5.
What is the molecular formula of BAS 00778459?
The molecular formula of BAS 00778459 is C24H21N3O4S2.
What is the molecular weight of BAS 00778459?
The molecular weight of BAS 00778459 is 479.10 g/mol.
Where can I buy BAS 00778459?
You can request a quote for BAS 00778459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778459?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.