AN-698/41240891
TL;DR: AN-698/41240891 (CAS 444712-65-6) is a chemical compound with molecular formula C14H9BrN2O2S and molecular weight 347.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-698/41240891, (5E)-5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one, 5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione, (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione, (5E)-5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H9BrN2O2S |
|---|---|
| Molecular Weight | 347.96 g/mol |
| LogP | 3.5637 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.95682 |
| Heavy Atoms | 20 |
| Complexity | 736.2801 |
Chemical Identifiers
| CAS Number | 444712-65-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C=CC=C2/C=C/3\C(=O)NC(=O)S3 |
Product Overview
AN-698/41240891 (CAS 444712-65-6), with molecular formula C14H9BrN2O2S and molecular weight 347.96 g/mol. IUPAC: (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-698/41240891
Property Insights of AN-698/41240891
The XLogP value of 3.5637 indicates that AN-698/41240891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, AN-698/41240891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/41240891 has 1 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 AN-698/41240891?
The CAS number of AN-698/41240891 is 444712-65-6.
What is the molecular formula of AN-698/41240891?
The molecular formula of AN-698/41240891 is C14H9BrN2O2S.
What is the molecular weight of AN-698/41240891?
The molecular weight of AN-698/41240891 is 347.96 g/mol.
Where can I buy AN-698/41240891?
You can request a quote for AN-698/41240891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41240891?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41240891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.