BAS 00601877
TL;DR: BAS 00601877 (CAS 5656-94-0) is a chemical compound with molecular formula C28H21N3O8S and molecular weight 559.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00601877, BIM-0027128.P001, ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-5-(2H-1,3-BENZODIOXOL-5-YL)-7-METHYL-2-{[5-(4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, Ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H21N3O8S |
|---|---|
| Molecular Weight | 559.10 g/mol |
| LogP | 3.6952 |
| Topological Polar Surface Area | 135.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.1049 |
| Heavy Atoms | 40 |
| Complexity | 1881.1384 |
Chemical Identifiers
| CAS Number | 5656-94-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C/C5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-])/S2)C |
Product Overview
BAS 00601877 (CAS 5656-94-0), with molecular formula C28H21N3O8S and molecular weight 559.10 g/mol. IUPAC: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00601877
Property Insights of BAS 00601877
The XLogP value of 3.6952 indicates that BAS 00601877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00601877. Following Lipinski's Rule of Five, BAS 00601877 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 00601877?
The CAS number of BAS 00601877 is 5656-94-0.
What is the molecular formula of BAS 00601877?
The molecular formula of BAS 00601877 is C28H21N3O8S.
What is the molecular weight of BAS 00601877?
The molecular weight of BAS 00601877 is 559.10 g/mol.
Where can I buy BAS 00601877?
You can request a quote for BAS 00601877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00601877?
Yes, KEHONG BIO provides custom synthesis services for BAS 00601877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.