AN-698/40782098
TL;DR: AN-698/40782098 (CAS 431883-91-9) is a chemical compound with molecular formula C24H22N4O2S and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2,3-dimethylphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-698/40782098, (5E)-1-(2,3-dimethylphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(2,3-dimethylphenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C24H22N4O2S |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 3.93728 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.14636 |
| Heavy Atoms | 31 |
| Complexity | 1258.0837 |
Chemical Identifiers
| CAS Number | 431883-91-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=NC=C4)C)/C(=O)NC2=S)C |
Product Overview
AN-698/40782098 (CAS 431883-91-9), with molecular formula C24H22N4O2S and molecular weight 430.15 g/mol. IUPAC: (5E)-1-(2,3-dimethylphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-698/40782098
Property Insights of AN-698/40782098
The XLogP value of 3.93728 indicates that AN-698/40782098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40782098. Following Lipinski's Rule of Five, AN-698/40782098 has 1 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-698/40782098?
The CAS number of AN-698/40782098 is 431883-91-9.
What is the molecular formula of AN-698/40782098?
The molecular formula of AN-698/40782098 is C24H22N4O2S.
What is the molecular weight of AN-698/40782098?
The molecular weight of AN-698/40782098 is 430.15 g/mol.
Where can I buy AN-698/40782098?
You can request a quote for AN-698/40782098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40782098?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40782098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.