AO-081/14337035
TL;DR: AO-081/14337035 (CAS 354788-72-0) is a chemical compound with molecular formula C22H15ClFN3OS and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: AO-081/14337035, (2Z)-2-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one, (2Z)-2-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
| Molecular Formula | C22H15ClFN3OS |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 4.65694 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.06085 |
| Heavy Atoms | 29 |
| Complexity | 1529.506 |
Chemical Identifiers
| CAS Number | 354788-72-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3 |
Product Overview
AO-081/14337035 (CAS 354788-72-0), with molecular formula C22H15ClFN3OS and molecular weight 423.06 g/mol. IUPAC: (2Z)-2-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of AO-081/14337035
Property Insights of AO-081/14337035
The XLogP value of 4.65694 indicates that AO-081/14337035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, AO-081/14337035 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/14337035 has 0 hydrogen bond donor(s) and 3 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 AO-081/14337035?
The CAS number of AO-081/14337035 is 354788-72-0.
What is the molecular formula of AO-081/14337035?
The molecular formula of AO-081/14337035 is C22H15ClFN3OS.
What is the molecular weight of AO-081/14337035?
The molecular weight of AO-081/14337035 is 423.06 g/mol.
Where can I buy AO-081/14337035?
You can request a quote for AO-081/14337035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14337035?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14337035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.