UPCMLD0ENAT5731350:001
TL;DR: UPCMLD0ENAT5731350:001 (CAS 864939-84-4) is a chemical compound with molecular formula C23H26N8O2S and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5731350:001, AB00674012-01, 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione, 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione, F1342-0079
| Molecular Formula | C23H26N8O2S |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 1.3426 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.18994 |
| Heavy Atoms | 34 |
| Complexity | 1406.4271 |
Chemical Identifiers
| CAS Number | 864939-84-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC=CC=N5 |
Product Overview
UPCMLD0ENAT5731350:001 (CAS 864939-84-4), with molecular formula C23H26N8O2S and molecular weight 478.19 g/mol. IUPAC: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731350:001
Property Insights of UPCMLD0ENAT5731350:001
The XLogP value of 1.3426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731350:001. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731350:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731350:001 has 0 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 UPCMLD0ENAT5731350:001?
The CAS number of UPCMLD0ENAT5731350:001 is 864939-84-4.
What is the molecular formula of UPCMLD0ENAT5731350:001?
The molecular formula of UPCMLD0ENAT5731350:001 is C23H26N8O2S.
What is the molecular weight of UPCMLD0ENAT5731350:001?
The molecular weight of UPCMLD0ENAT5731350:001 is 478.19 g/mol.
Where can I buy UPCMLD0ENAT5731350:001?
You can request a quote for UPCMLD0ENAT5731350:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731350:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731350:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.