BAS 00780893
TL;DR: BAS 00780893 (CAS 324564-27-4) is a chemical compound with molecular formula C27H24N2O8S and molecular weight 536.13 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-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780893, ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 5-(4-acetoxy-3-methoxyphenyl)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 4-[2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-6-(ethoxycarbonyl)-7-methyl-3 -oxo(4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)]-2-methoxyphenyl aceta te, ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H24N2O8S |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 2.4609 |
| Topological Polar Surface Area | 114.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.12537 |
| Heavy Atoms | 38 |
| Complexity | 1666.8417 |
Chemical Identifiers
| CAS Number | 324564-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/S2)C |
Product Overview
BAS 00780893 (CAS 324564-27-4), with molecular formula C27H24N2O8S and molecular weight 536.13 g/mol. IUPAC: ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780893
Property Insights of BAS 00780893
The XLogP value of 2.4609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00780893. The TPSA of 114.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780893. Following Lipinski's Rule of Five, BAS 00780893 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780893?
The CAS number of BAS 00780893 is 324564-27-4.
What is the molecular formula of BAS 00780893?
The molecular formula of BAS 00780893 is C27H24N2O8S.
What is the molecular weight of BAS 00780893?
The molecular weight of BAS 00780893 is 536.13 g/mol.
Where can I buy BAS 00780893?
You can request a quote for BAS 00780893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780893?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.