AB00092597-01
TL;DR: AB00092597-01 (CAS 167425-87-8) is a chemical compound with molecular formula C18H12N2O3S and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
Also Known As: AB00092597-01, 3-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl acetate, A1706/0072666, [3-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate, (E)-3-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl acetate
| Molecular Formula | C18H12N2O3S |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 2.3822 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05685 |
| Heavy Atoms | 24 |
| Complexity | 1190.141 |
Chemical Identifiers
| CAS Number | 167425-87-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2 |
Product Overview
AB00092597-01 (CAS 167425-87-8), with molecular formula C18H12N2O3S and molecular weight 336.06 g/mol. IUPAC: [3-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of AB00092597-01
Property Insights of AB00092597-01
The XLogP value of 2.3822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00092597-01. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092597-01. Following Lipinski's Rule of Five, AB00092597-01 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 AB00092597-01?
The CAS number of AB00092597-01 is 167425-87-8.
What is the molecular formula of AB00092597-01?
The molecular formula of AB00092597-01 is C18H12N2O3S.
What is the molecular weight of AB00092597-01?
The molecular weight of AB00092597-01 is 336.06 g/mol.
Where can I buy AB00092597-01?
You can request a quote for AB00092597-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092597-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092597-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.