AB00675515-01
TL;DR: AB00675515-01 (CAS 674296-53-8) is a chemical compound with molecular formula C21H22N8O4S and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: AB00675515-01, F1614-0105, 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione, 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(4-(furan-2-carbonyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H22N8O4S |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 0.561 |
| Topological Polar Surface Area | 135.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.14847 |
| Heavy Atoms | 34 |
| Complexity | 1419.0018 |
Chemical Identifiers
| CAS Number | 674296-53-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)CCSC5=NC=CC=N5 |
Product Overview
AB00675515-01 (CAS 674296-53-8), with molecular formula C21H22N8O4S and molecular weight 482.15 g/mol. IUPAC: 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of AB00675515-01
Property Insights of AB00675515-01
The XLogP value of 0.561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675515-01. The TPSA of 135.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675515-01. Following Lipinski's Rule of Five, AB00675515-01 has 1 hydrogen bond donor(s) and 9 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 AB00675515-01?
The CAS number of AB00675515-01 is 674296-53-8.
What is the molecular formula of AB00675515-01?
The molecular formula of AB00675515-01 is C21H22N8O4S.
What is the molecular weight of AB00675515-01?
The molecular weight of AB00675515-01 is 482.15 g/mol.
Where can I buy AB00675515-01?
You can request a quote for AB00675515-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675515-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675515-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.