BAS 00780952
TL;DR: BAS 00780952 (CAS 324568-07-2) is a chemical compound with molecular formula C30H29N3O5S and molecular weight 543.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780952, ethyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(1-acetyl-2-oxoindolin-3-ylidene)-5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C30H29N3O5S |
|---|---|
| Molecular Weight | 543.18 g/mol |
| LogP | 3.3591 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 543.1828 |
| Heavy Atoms | 39 |
| Complexity | 1753.1685 |
Chemical Identifiers
| CAS Number | 324568-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)(C)C)C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)C(=O)C)/S2)C |
Product Overview
BAS 00780952 (CAS 324568-07-2), with molecular formula C30H29N3O5S and molecular weight 543.18 g/mol. IUPAC: ethyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780952
Property Insights of BAS 00780952
The XLogP value of 3.3591 indicates that BAS 00780952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780952. Following Lipinski's Rule of Five, BAS 00780952 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780952?
The CAS number of BAS 00780952 is 324568-07-2.
What is the molecular formula of BAS 00780952?
The molecular formula of BAS 00780952 is C30H29N3O5S.
What is the molecular weight of BAS 00780952?
The molecular weight of BAS 00780952 is 543.18 g/mol.
Where can I buy BAS 00780952?
You can request a quote for BAS 00780952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780952?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.