AM-879/40861496
TL;DR: AM-879/40861496 (CAS 445407-17-0) is a chemical compound with molecular formula C23H19FN4O2S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AM-879/40861496, (5Z)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[1-(4-dimethylaminophenyl)pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-5-((1-(4-(dimethylamino)phenyl)-1H-pyrrol-2-yl)methylene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C23H19FN4O2S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 3.5137 |
| Topological Polar Surface Area | 57.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.12128 |
| Heavy Atoms | 31 |
| Complexity | 1197.0742 |
Chemical Identifiers
| CAS Number | 445407-17-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N2C=CC=C2/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
AM-879/40861496 (CAS 445407-17-0), with molecular formula C23H19FN4O2S and molecular weight 434.12 g/mol. IUPAC: (5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AM-879/40861496
Property Insights of AM-879/40861496
The XLogP value of 3.5137 indicates that AM-879/40861496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.58 Ų, AM-879/40861496 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AM-879/40861496 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 AM-879/40861496?
The CAS number of AM-879/40861496 is 445407-17-0.
What is the molecular formula of AM-879/40861496?
The molecular formula of AM-879/40861496 is C23H19FN4O2S.
What is the molecular weight of AM-879/40861496?
The molecular weight of AM-879/40861496 is 434.12 g/mol.
Where can I buy AM-879/40861496?
You can request a quote for AM-879/40861496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-879/40861496?
Yes, KEHONG BIO provides custom synthesis services for AM-879/40861496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.