BAS 00778604
TL;DR: BAS 00778604 (CAS 324072-10-8) is a chemical compound with molecular formula C28H25N3O6S and molecular weight 531.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-acetyloxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778604, ethyl (2Z)-5-(4-acetyloxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-[4-(acetyloxy)phenyl]-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-acetoxyphenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-[6-(ethoxycarbonyl)-2-(1-ethyl-2-oxobenzo[d]azolin-3-ylidene)-7-methyl-3-oxo -4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl]phenyl acetate
| Molecular Formula | C28H25N3O6S |
|---|---|
| Molecular Weight | 531.15 g/mol |
| LogP | 2.4603 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1464 |
| Heavy Atoms | 38 |
| Complexity | 1697.0721 |
Chemical Identifiers
| CAS Number | 324072-10-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC(=O)C)/C1=O |
Product Overview
BAS 00778604 (CAS 324072-10-8), with molecular formula C28H25N3O6S and molecular weight 531.15 g/mol. IUPAC: ethyl (2Z)-5-(4-acetyloxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778604
Property Insights of BAS 00778604
The XLogP value of 2.4603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778604. The TPSA of 107.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778604. Following Lipinski's Rule of Five, BAS 00778604 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00778604?
The CAS number of BAS 00778604 is 324072-10-8.
What is the molecular formula of BAS 00778604?
The molecular formula of BAS 00778604 is C28H25N3O6S.
What is the molecular weight of BAS 00778604?
The molecular weight of BAS 00778604 is 531.15 g/mol.
Where can I buy BAS 00778604?
You can request a quote for BAS 00778604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778604?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.