BAS 00780904
TL;DR: BAS 00780904 (CAS 324564-25-2) is a chemical compound with molecular formula C28H29N3O6S and molecular weight 535.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780904, Ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 5-(4-acetoxy-3-methoxyphenyl)-2-(4-(dimethylamino)benzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-(2-{[4-(dimethylamino)phenyl]methylene}-6-(ethoxycarbonyl)-7-methyl-3-oxo(4, 5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl))-2-methoxyphenyl acetate, ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(4-dimethylaminophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H29N3O6S |
|---|---|
| Molecular Weight | 535.18 g/mol |
| LogP | 2.7982 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.17773 |
| Heavy Atoms | 38 |
| Complexity | 1598.6086 |
Chemical Identifiers
| CAS Number | 324564-25-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)/C(=C\C4=CC=C(C=C4)N(C)C)/S2)C |
Product Overview
BAS 00780904 (CAS 324564-25-2), with molecular formula C28H29N3O6S and molecular weight 535.18 g/mol. IUPAC: ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780904
Property Insights of BAS 00780904
The XLogP value of 2.7982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00780904. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780904. Following Lipinski's Rule of Five, BAS 00780904 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780904?
The CAS number of BAS 00780904 is 324564-25-2.
What is the molecular formula of BAS 00780904?
The molecular formula of BAS 00780904 is C28H29N3O6S.
What is the molecular weight of BAS 00780904?
The molecular weight of BAS 00780904 is 535.18 g/mol.
Where can I buy BAS 00780904?
You can request a quote for BAS 00780904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780904?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.