UPCMLD0ENAT5840745:001
TL;DR: UPCMLD0ENAT5840745:001 (CAS 714926-14-4) is a chemical compound with molecular formula C24H28N8O2S and molecular weight 492.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5840745:001, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 3-methyl-8-[4-benzylpiperazinyl]-7-(3-pyrimidin-2-ylthiopropyl)-1,3,7-trihydro purine-2,6-dione, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C24H28N8O2S |
|---|---|
| Molecular Weight | 492.21 g/mol |
| LogP | 1.7179 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.2056 |
| Heavy Atoms | 35 |
| Complexity | 1392.3142 |
Chemical Identifiers
| CAS Number | 714926-14-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCCSC5=NC=CC=N5 |
Product Overview
UPCMLD0ENAT5840745:001 (CAS 714926-14-4), with molecular formula C24H28N8O2S and molecular weight 492.21 g/mol. IUPAC: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5840745:001
Property Insights of UPCMLD0ENAT5840745:001
The XLogP value of 1.7179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5840745:001. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5840745:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5840745:001 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 UPCMLD0ENAT5840745:001?
The CAS number of UPCMLD0ENAT5840745:001 is 714926-14-4.
What is the molecular formula of UPCMLD0ENAT5840745:001?
The molecular formula of UPCMLD0ENAT5840745:001 is C24H28N8O2S.
What is the molecular weight of UPCMLD0ENAT5840745:001?
The molecular weight of UPCMLD0ENAT5840745:001 is 492.21 g/mol.
Where can I buy UPCMLD0ENAT5840745:001?
You can request a quote for UPCMLD0ENAT5840745:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5840745:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5840745:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.