UPCMLD0ENAT5733390:001
TL;DR: UPCMLD0ENAT5733390:001 (CAS 838903-85-8) is a chemical compound with molecular formula C21H30N8O2S and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5733390:001, 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione, 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-8-(4-ethylpiperazinyl)-1,3-dimethy l-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C21H30N8O2S |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 0.77474 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.22125 |
| Heavy Atoms | 32 |
| Complexity | 1233.1388 |
Chemical Identifiers
| CAS Number | 838903-85-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5733390:001 (CAS 838903-85-8), with molecular formula C21H30N8O2S and molecular weight 458.22 g/mol. IUPAC: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5733390:001
Property Insights of UPCMLD0ENAT5733390:001
The XLogP value of 0.77474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733390:001. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733390:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733390:001 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 UPCMLD0ENAT5733390:001?
The CAS number of UPCMLD0ENAT5733390:001 is 838903-85-8.
What is the molecular formula of UPCMLD0ENAT5733390:001?
The molecular formula of UPCMLD0ENAT5733390:001 is C21H30N8O2S.
What is the molecular weight of UPCMLD0ENAT5733390:001?
The molecular weight of UPCMLD0ENAT5733390:001 is 458.22 g/mol.
Where can I buy UPCMLD0ENAT5733390:001?
You can request a quote for UPCMLD0ENAT5733390:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733390:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733390:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.