UPCMLD0ENAT5831698:001
TL;DR: UPCMLD0ENAT5831698:001 (CAS 838893-79-1) is a chemical compound with molecular formula C22H25N7O2S and molecular weight 451.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5831698:001, 8-(benzyl(methyl)amino)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione, 1,3-dimethyl-8-[methylbenzylamino]-7-[2-(4-methylpyrimidin-2-ylthio)ethyl]-1,3 ,7-trihydropurine-2,6-dione, 8-[benzyl(methyl)amino]-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H25N7O2S |
|---|---|
| Molecular Weight | 451.18 g/mol |
| LogP | 1.96082 |
| Topological Polar Surface Area | 90.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.17905 |
| Heavy Atoms | 32 |
| Complexity | 1375.0461 |
Chemical Identifiers
| CAS Number | 838893-79-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5831698:001 (CAS 838893-79-1), with molecular formula C22H25N7O2S and molecular weight 451.18 g/mol. IUPAC: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5831698:001
Property Insights of UPCMLD0ENAT5831698:001
The XLogP value of 1.96082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5831698:001. The TPSA of 90.84 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5831698:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831698:001 has 0 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 UPCMLD0ENAT5831698:001?
The CAS number of UPCMLD0ENAT5831698:001 is 838893-79-1.
What is the molecular formula of UPCMLD0ENAT5831698:001?
The molecular formula of UPCMLD0ENAT5831698:001 is C22H25N7O2S.
What is the molecular weight of UPCMLD0ENAT5831698:001?
The molecular weight of UPCMLD0ENAT5831698:001 is 451.18 g/mol.
Where can I buy UPCMLD0ENAT5831698:001?
You can request a quote for UPCMLD0ENAT5831698:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831698:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831698:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.