UPCMLD0ENAT5731386:001
TL;DR: UPCMLD0ENAT5731386:001 (CAS 685860-64-4) is a chemical compound with molecular formula C20H21N7O2S and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5731386:001, BAS 08333493, 8-(benzyl(methyl)amino)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00465077-02, F0570-0147
| Molecular Formula | C20H21N7O2S |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 1.642 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.14774 |
| Heavy Atoms | 30 |
| Complexity | 1265.5498 |
Chemical Identifiers
| CAS Number | 685860-64-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC=CC=N4 |
Product Overview
UPCMLD0ENAT5731386:001 (CAS 685860-64-4), with molecular formula C20H21N7O2S and molecular weight 423.15 g/mol. IUPAC: 8-[benzyl(methyl)amino]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731386:001
Property Insights of UPCMLD0ENAT5731386:001
The XLogP value of 1.642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731386:001. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731386:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731386:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5731386:001?
The CAS number of UPCMLD0ENAT5731386:001 is 685860-64-4.
What is the molecular formula of UPCMLD0ENAT5731386:001?
The molecular formula of UPCMLD0ENAT5731386:001 is C20H21N7O2S.
What is the molecular weight of UPCMLD0ENAT5731386:001?
The molecular weight of UPCMLD0ENAT5731386:001 is 423.15 g/mol.
Where can I buy UPCMLD0ENAT5731386:001?
You can request a quote for UPCMLD0ENAT5731386:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731386:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731386:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.