AN-648/40740282
TL;DR: AN-648/40740282 (CAS 1164529-82-1) is a chemical compound with molecular formula C20H19BrN4O3S and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-bromophenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-648/40740282, 1-(3-bromophenyl)-5-{[5-(4-methyl-1-piperazinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-1-(3-Bromophenyl)dihydro-5-[[5-(4-methyl-1-piperazinyl)-2-furanyl]methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione, (5E)-1-(3-bromophenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H19BrN4O3S |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 2.6252 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.03613 |
| Heavy Atoms | 29 |
| Complexity | 1010.66016 |
Chemical Identifiers
| CAS Number | 1164529-82-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br |
Product Overview
AN-648/40740282 (CAS 1164529-82-1), with molecular formula C20H19BrN4O3S and molecular weight 474.04 g/mol. IUPAC: (5E)-1-(3-bromophenyl)-5-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-648/40740282
Property Insights of AN-648/40740282
The XLogP value of 2.6252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/40740282. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/40740282. Following Lipinski's Rule of Five, AN-648/40740282 has 1 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-648/40740282?
The CAS number of AN-648/40740282 is 1164529-82-1.
What is the molecular formula of AN-648/40740282?
The molecular formula of AN-648/40740282 is C20H19BrN4O3S.
What is the molecular weight of AN-648/40740282?
The molecular weight of AN-648/40740282 is 474.04 g/mol.
Where can I buy AN-648/40740282?
You can request a quote for AN-648/40740282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/40740282?
Yes, KEHONG BIO provides custom synthesis services for AN-648/40740282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.