![(E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid structure](/static/products/899/899385-33-2.png)
(E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 899385-33-2) is a chemical compound with molecular formula C23H15N3O6S2 and molecular weight 493.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-(4-imino-8-methylsulfonyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-(5-{(E)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}furan-2-yl)benzoate, 3-[5-[(E)-(4-imino-8-methylsulfonyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H15N3O6S2 |
|---|---|
| Molecular Weight | 493.04 g/mol |
| LogP | 3.91747 |
| Topological Polar Surface Area | 141.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.04022 |
| Heavy Atoms | 34 |
| Complexity | 1583.3694 |
Chemical Identifiers
| CAS Number | 899385-33-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)/C(=C\C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=O)N=C3S2 |
Product Overview
(E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 899385-33-2), with molecular formula C23H15N3O6S2 and molecular weight 493.04 g/mol. IUPAC: 3-[5-[(E)-(4-imino-8-methylsulfonyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 3.91747 indicates that (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.1 Ų indicates high polarity, suggesting (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid is 899385-33-2.
What is the molecular formula of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid is C23H15N3O6S2.
What is the molecular weight of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid is 493.04 g/mol.
Where can I buy (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-((4-imino-8-(methylsulfonyl)-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)furan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.