AN-698/40781072
TL;DR: AN-698/40781072 (CAS 430471-66-2) is a chemical compound with molecular formula C21H16N4OS and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: AN-698/40781072, (2Z)-2-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one, 2-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-{(Z)-1-[2,5-DIMETHYL-1-(4-PYRIDYL)-1H-PYRROL-3-YL]METHYLIDENE}[1,3]THIAZOLO[3,2-A][1,3]BENZIMIDAZOL-3-ONE
| Molecular Formula | C21H16N4OS |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 3.25944 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.1045 |
| Heavy Atoms | 27 |
| Complexity | 1409.7184 |
Chemical Identifiers
| CAS Number | 430471-66-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C\3/C(=O)N4C5=CC=CC=C5N=C4S3 |
Product Overview
AN-698/40781072 (CAS 430471-66-2), with molecular formula C21H16N4OS and molecular weight 372.10 g/mol. IUPAC: (2Z)-2-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of AN-698/40781072
Property Insights of AN-698/40781072
The XLogP value of 3.25944 indicates that AN-698/40781072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AN-698/40781072 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40781072 has 0 hydrogen bond donor(s) and 4 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 AN-698/40781072?
The CAS number of AN-698/40781072 is 430471-66-2.
What is the molecular formula of AN-698/40781072?
The molecular formula of AN-698/40781072 is C21H16N4OS.
What is the molecular weight of AN-698/40781072?
The molecular weight of AN-698/40781072 is 372.10 g/mol.
Where can I buy AN-698/40781072?
You can request a quote for AN-698/40781072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40781072?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40781072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.