![1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] structure](/static/products/7345/734546-53-3.webp)
1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]
TL;DR: 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] (CAS 734546-53-3) is a chemical compound with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-[1,4]thiazino[4,3-a]benzimidazol-1-ylidene]methyl]benzoate
Also Known As: 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate], 1,1a(2)-Dimethyl 4,4a(2)-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate], Dimethyl 4,4'-[(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)dimethanylylidene]dibenzoate, methyl 4-[[3-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-[1,4]thiazino[4,3-a]benzimidazol-1-ylidene]methyl]benzoate
| Molecular Formula | C28H20N2O5S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.10928 |
| Heavy Atoms | 36 |
| Complexity | 1800.4445 |
Chemical Identifiers
| CAS Number | 734546-53-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=C2C3=NC4=CC=CC=C4N3C(=O)C(=CC5=CC=C(C=C5)C(=O)OC)S2 |
Product Overview
1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] (CAS 734546-53-3), with molecular formula C28H20N2O5S and molecular weight 496.11 g/mol. IUPAC: methyl 4-[[3-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-[1,4]thiazino[4,3-a]benzimidazol-1-ylidene]methyl]benzoate.
Chemical Property Profile of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]
Property Insights of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]
The XLogP value of 3.14 indicates that 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]. Following Lipinski's Rule of Five, 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] has 0 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 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]?
The CAS number of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] is 734546-53-3.
What is the molecular formula of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]?
The molecular formula of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] is C28H20N2O5S.
What is the molecular weight of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]?
The molecular weight of 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] is 496.11 g/mol.
Where can I buy 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]?
You can request a quote for 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dimethyl 4,4'-(4-oxo-1H-[1,4]thiazino[4,3-a]benzimidazole-1,3(4H)-diylidene)bis[benzoate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.