AB00396863-03
TL;DR: AB00396863-03 (CAS 872627-63-9) is a chemical compound with molecular formula C18H24N8O2S and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: AB00396863-03, AB00396863-09, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione, F1889-0352, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
| Molecular Formula | C18H24N8O2S |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1743 |
| Heavy Atoms | 29 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 872627-63-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C |
| InChIKey | KMHLYRJSKVIOFC-UHFFFAOYSA-N |
Product Overview
AB00396863-03 (CAS 872627-63-9), with molecular formula C18H24N8O2S and molecular weight 416.17 g/mol. IUPAC: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of AB00396863-03
Property Insights of AB00396863-03
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00396863-03. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00396863-03. Following Lipinski's Rule of Five, AB00396863-03 has 1 hydrogen bond donor(s) and 8 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 AB00396863-03?
The CAS number of AB00396863-03 is 872627-63-9.
What is the molecular formula of AB00396863-03?
The molecular formula of AB00396863-03 is C18H24N8O2S.
What is the molecular weight of AB00396863-03?
The molecular weight of AB00396863-03 is 416.17 g/mol.
Where can I buy AB00396863-03?
You can request a quote for AB00396863-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00396863-03?
Yes, KEHONG BIO provides custom synthesis services for AB00396863-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.