RefChem:445668
TL;DR: RefChem:445668 (CAS 617696-91-0) is a chemical compound with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethyl-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
Also Known As: 2,6-dimethyl-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl acetate, [2,6-dimethyl-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate, 2,6-Dimethyl-4-((Z)-(3-oxo(1,3)thiazolo(3,2-A)benzimidazol-2(3H)-ylidene)methyl)phenyl acetate, 644-428-1, RefChem:445668
| Molecular Formula | C20H16N2O3S |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 2.99904 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.08817 |
| Heavy Atoms | 26 |
| Complexity | 1260.8597 |
Chemical Identifiers
| CAS Number | 617696-91-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C)C)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2 |
Product Overview
RefChem:445668 (CAS 617696-91-0), with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol. IUPAC: [2,6-dimethyl-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of RefChem:445668
Property Insights of RefChem:445668
The XLogP value of 2.99904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:445668. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:445668. Following Lipinski's Rule of Five, RefChem:445668 has 0 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 RefChem:445668?
The CAS number of RefChem:445668 is 617696-91-0.
What is the molecular formula of RefChem:445668?
The molecular formula of RefChem:445668 is C20H16N2O3S.
What is the molecular weight of RefChem:445668?
The molecular weight of RefChem:445668 is 364.09 g/mol.
Where can I buy RefChem:445668?
You can request a quote for RefChem:445668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:445668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:445668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.