AB00079972-01
TL;DR: AB00079972-01 (CAS 381202-15-9) is a chemical compound with molecular formula C18H24N4O2S and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: AB00079972-01, (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2-diethylaminoethylamino)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[(2-diethylaminoethylamino)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H24N4O2S |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 2.66981 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.162 |
| Heavy Atoms | 25 |
| Complexity | 866.1103 |
Chemical Identifiers
| CAS Number | 381202-15-9 |
|---|---|
| SMILES | CCN(CC)CCN=CC1=C(N(C(=S)NC1=O)C2=CC=CC=C2C)O |
Product Overview
AB00079972-01 (CAS 381202-15-9), with molecular formula C18H24N4O2S and molecular weight 360.16 g/mol. IUPAC: 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of AB00079972-01
Property Insights of AB00079972-01
The XLogP value of 2.66981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00079972-01. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00079972-01. Following Lipinski's Rule of Five, AB00079972-01 has 2 hydrogen bond donor(s) and 5 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 AB00079972-01?
The CAS number of AB00079972-01 is 381202-15-9.
What is the molecular formula of AB00079972-01?
The molecular formula of AB00079972-01 is C18H24N4O2S.
What is the molecular weight of AB00079972-01?
The molecular weight of AB00079972-01 is 360.16 g/mol.
Where can I buy AB00079972-01?
You can request a quote for AB00079972-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00079972-01?
Yes, KEHONG BIO provides custom synthesis services for AB00079972-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.