UPCMLD0ENAT5821818:001
TL;DR: UPCMLD0ENAT5821818:001 (CAS 872623-53-5) is a chemical compound with molecular formula C23H27N7O2S and molecular weight 465.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5821818:001, F1889-0313, 8-[benzyl(methyl)amino]-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methylpurine-2,6-dione, 8-(benzyl(methyl)amino)-7-(3-((4,6-dimethylpyrimidin-2-yl)thio)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4,6-dimethylpyrimidin-2-ylthio)propyl]-3-methyl-8-[methylbenzylamino]-1, 3,7-trihydropurine-2,6-dione
| Molecular Formula | C23H27N7O2S |
|---|---|
| Molecular Weight | 465.19 g/mol |
| LogP | 2.64894 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1947 |
| Heavy Atoms | 33 |
| Complexity | 1371.6951 |
Chemical Identifiers
| CAS Number | 872623-53-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C)C |
Product Overview
UPCMLD0ENAT5821818:001 (CAS 872623-53-5), with molecular formula C23H27N7O2S and molecular weight 465.19 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5821818:001
Property Insights of UPCMLD0ENAT5821818:001
The XLogP value of 2.64894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5821818:001. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5821818:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5821818:001 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 UPCMLD0ENAT5821818:001?
The CAS number of UPCMLD0ENAT5821818:001 is 872623-53-5.
What is the molecular formula of UPCMLD0ENAT5821818:001?
The molecular formula of UPCMLD0ENAT5821818:001 is C23H27N7O2S.
What is the molecular weight of UPCMLD0ENAT5821818:001?
The molecular weight of UPCMLD0ENAT5821818:001 is 465.19 g/mol.
Where can I buy UPCMLD0ENAT5821818:001?
You can request a quote for UPCMLD0ENAT5821818:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5821818:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5821818:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.