BAS 00780956
TL;DR: BAS 00780956 (CAS 324568-09-4) is a chemical compound with molecular formula C31H33N3O4S and molecular weight 543.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780956, ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C31H33N3O4S |
|---|---|
| Molecular Weight | 543.22 g/mol |
| LogP | 4.2226 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.2192 |
| Heavy Atoms | 39 |
| Complexity | 1686.8074 |
Chemical Identifiers
| CAS Number | 324568-09-4 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)C(C)(C)C)/C1=O |
Product Overview
BAS 00780956 (CAS 324568-09-4), with molecular formula C31H33N3O4S and molecular weight 543.22 g/mol. IUPAC: ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780956
Property Insights of BAS 00780956
The XLogP value of 4.2226 indicates that BAS 00780956 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 00780956. Following Lipinski's Rule of Five, BAS 00780956 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780956?
The CAS number of BAS 00780956 is 324568-09-4.
What is the molecular formula of BAS 00780956?
The molecular formula of BAS 00780956 is C31H33N3O4S.
What is the molecular weight of BAS 00780956?
The molecular weight of BAS 00780956 is 543.22 g/mol.
Where can I buy BAS 00780956?
You can request a quote for BAS 00780956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780956?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.