AN-698/40716967
TL;DR: AN-698/40716967 (CAS 371133-92-5) is a chemical compound with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-698/40716967, 5-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-6-hydroxy-5-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-2-sulfanylpyrimidin-4(5H)-one, 5-((5-(4-methylpiperazin-1-yl)furan-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H16N4O3S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | -0.0543 |
| Topological Polar Surface Area | 77.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0943 |
| Heavy Atoms | 22 |
| Complexity | 636.8002 |
Chemical Identifiers
| CAS Number | 371133-92-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
AN-698/40716967 (CAS 371133-92-5), with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol. IUPAC: 5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-698/40716967
Property Insights of AN-698/40716967
The XLogP value of -0.0543 indicates that AN-698/40716967 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40716967. Following Lipinski's Rule of Five, AN-698/40716967 has 2 hydrogen bond donor(s) and 6 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-698/40716967?
The CAS number of AN-698/40716967 is 371133-92-5.
What is the molecular formula of AN-698/40716967?
The molecular formula of AN-698/40716967 is C14H16N4O3S.
What is the molecular weight of AN-698/40716967?
The molecular weight of AN-698/40716967 is 320.09 g/mol.
Where can I buy AN-698/40716967?
You can request a quote for AN-698/40716967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40716967?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40716967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.