BAS 00756393
TL;DR: BAS 00756393 (CAS 5828-95-5) is a chemical compound with molecular formula C25H21BrN2O6S and molecular weight 556.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00756393, ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, A1676/0071505, ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2E)-5-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H21BrN2O6S |
|---|---|
| Molecular Weight | 556.03 g/mol |
| LogP | 3.2981 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 556.0304 |
| Heavy Atoms | 35 |
| Complexity | 1554.8087 |
Chemical Identifiers
| CAS Number | 5828-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C\C5=C(C=CC(=C5)Br)OC)/S2)C |
Product Overview
BAS 00756393 (CAS 5828-95-5), with molecular formula C25H21BrN2O6S and molecular weight 556.03 g/mol. IUPAC: ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00756393
Property Insights of BAS 00756393
The XLogP value of 3.2981 indicates that BAS 00756393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00756393. Following Lipinski's Rule of Five, BAS 00756393 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 00756393?
The CAS number of BAS 00756393 is 5828-95-5.
What is the molecular formula of BAS 00756393?
The molecular formula of BAS 00756393 is C25H21BrN2O6S.
What is the molecular weight of BAS 00756393?
The molecular weight of BAS 00756393 is 556.03 g/mol.
Where can I buy BAS 00756393?
You can request a quote for BAS 00756393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00756393?
Yes, KEHONG BIO provides custom synthesis services for BAS 00756393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.