UPCMLD0ENAT5835091:001
TL;DR: UPCMLD0ENAT5835091:001 (CAS 673441-85-5) is a chemical compound with molecular formula C20H26N8O3S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5835091:001, AB00675497-01, 1-[1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide, F1614-0013, 1-(1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
| Molecular Formula | C20H26N8O3S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 0.02612 |
| Topological Polar Surface Area | 133.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.18484 |
| Heavy Atoms | 32 |
| Complexity | 1286.4625 |
Chemical Identifiers
| CAS Number | 673441-85-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5835091:001 (CAS 673441-85-5), with molecular formula C20H26N8O3S and molecular weight 458.18 g/mol. IUPAC: 1-[1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5835091:001
Property Insights of UPCMLD0ENAT5835091:001
The XLogP value of 0.02612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835091:001. The TPSA of 133.93 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835091:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835091:001 has 1 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 UPCMLD0ENAT5835091:001?
The CAS number of UPCMLD0ENAT5835091:001 is 673441-85-5.
What is the molecular formula of UPCMLD0ENAT5835091:001?
The molecular formula of UPCMLD0ENAT5835091:001 is C20H26N8O3S.
What is the molecular weight of UPCMLD0ENAT5835091:001?
The molecular weight of UPCMLD0ENAT5835091:001 is 458.18 g/mol.
Where can I buy UPCMLD0ENAT5835091:001?
You can request a quote for UPCMLD0ENAT5835091:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835091:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835091:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.