![2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid structure](/static/products/5329/532950-44-0.webp)
2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
TL;DR: 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid (CAS 532950-44-0) is a chemical compound with molecular formula C22H13ClN2O4S and molecular weight 436.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[4-[(E)-(7-methyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid, (E)-2-chloro-5-(4-((6-methyl-3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid, 2-chloro-5-[4-[(E)-(7-methyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C22H13ClN2O4S |
|---|---|
| Molecular Weight | 436.03 g/mol |
| LogP | 4.37692 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.02844 |
| Heavy Atoms | 30 |
| Complexity | 1578.2653 |
Chemical Identifiers
| CAS Number | 532950-44-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C3N2C(=O)/C(=C\C4=COC(=C4)C5=CC(=C(C=C5)Cl)C(=O)O)/S3 |
Product Overview
2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid (CAS 532950-44-0), with molecular formula C22H13ClN2O4S and molecular weight 436.03 g/mol. IUPAC: 2-chloro-5-[4-[(E)-(7-methyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Property Insights of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
The XLogP value of 4.37692 indicates that 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid has 1 hydrogen bond donor(s) and 5 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 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid?
The CAS number of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid is 532950-44-0.
What is the molecular formula of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular formula of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid is C22H13ClN2O4S.
What is the molecular weight of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular weight of 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid is 436.03 g/mol.
Where can I buy 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid?
You can request a quote for 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-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 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-{4-[(E)-(6-methyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.