UPCMLD0ENAT5835079:001
TL;DR: UPCMLD0ENAT5835079:001 (CAS 713087-59-3) 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.
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5835079:001, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00668506-01, F0570-0098, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
| Molecular Formula | C18H24N8O2S |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 0.1475 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1743 |
| Heavy Atoms | 29 |
| Complexity | 1098.7319 |
Chemical Identifiers
| CAS Number | 713087-59-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5835079:001 (CAS 713087-59-3), with molecular formula C18H24N8O2S and molecular weight 416.17 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5835079:001
Property Insights of UPCMLD0ENAT5835079:001
The XLogP value of 0.1475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835079:001. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835079:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835079:001 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 UPCMLD0ENAT5835079:001?
The CAS number of UPCMLD0ENAT5835079:001 is 713087-59-3.
What is the molecular formula of UPCMLD0ENAT5835079:001?
The molecular formula of UPCMLD0ENAT5835079:001 is C18H24N8O2S.
What is the molecular weight of UPCMLD0ENAT5835079:001?
The molecular weight of UPCMLD0ENAT5835079:001 is 416.17 g/mol.
Where can I buy UPCMLD0ENAT5835079:001?
You can request a quote for UPCMLD0ENAT5835079:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835079:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835079:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.