UPCMLD0ENAT5830709:001
TL;DR: UPCMLD0ENAT5830709:001 (CAS 872623-50-2) is a chemical compound with molecular formula C24H27N7O2S and molecular weight 477.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5830709:001, F1889-0210, 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione, 8-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-1,3-dimethyl-8-(2-1,2,3,4-tetrahyd roisoquinolyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H27N7O2S |
|---|---|
| Molecular Weight | 477.19 g/mol |
| LogP | 2.19554 |
| Topological Polar Surface Area | 90.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.1947 |
| Heavy Atoms | 34 |
| Complexity | 1498.2631 |
Chemical Identifiers
| CAS Number | 872623-50-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)N(C3=O)C)C)C |
Product Overview
UPCMLD0ENAT5830709:001 (CAS 872623-50-2), with molecular formula C24H27N7O2S and molecular weight 477.19 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5830709:001
Property Insights of UPCMLD0ENAT5830709:001
The XLogP value of 2.19554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5830709:001. The TPSA of 90.84 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5830709:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5830709:001 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 UPCMLD0ENAT5830709:001?
The CAS number of UPCMLD0ENAT5830709:001 is 872623-50-2.
What is the molecular formula of UPCMLD0ENAT5830709:001?
The molecular formula of UPCMLD0ENAT5830709:001 is C24H27N7O2S.
What is the molecular weight of UPCMLD0ENAT5830709:001?
The molecular weight of UPCMLD0ENAT5830709:001 is 477.19 g/mol.
Where can I buy UPCMLD0ENAT5830709:001?
You can request a quote for UPCMLD0ENAT5830709:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5830709:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5830709:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.