UPCMLD0ENAT5835017:001
TL;DR: UPCMLD0ENAT5835017:001 (CAS 674307-74-5) is a chemical compound with molecular formula C21H28N8O3S and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5835017:001, F1614-0073, 1-(7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-(7-(3-((4,6-dimethylpyrimidin-2-yl)thio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-[7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
| Molecular Formula | C21H28N8O3S |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 0.71424 |
| Topological Polar Surface Area | 144.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.2005 |
| Heavy Atoms | 33 |
| Complexity | 1283.0576 |
Chemical Identifiers
| CAS Number | 674307-74-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C)C |
Product Overview
UPCMLD0ENAT5835017:001 (CAS 674307-74-5), with molecular formula C21H28N8O3S and molecular weight 472.20 g/mol. IUPAC: 1-[7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5835017:001
Property Insights of UPCMLD0ENAT5835017:001
The XLogP value of 0.71424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835017:001. The TPSA of 144.79 Ų indicates high polarity, suggesting UPCMLD0ENAT5835017:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5835017:001 has 2 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 UPCMLD0ENAT5835017:001?
The CAS number of UPCMLD0ENAT5835017:001 is 674307-74-5.
What is the molecular formula of UPCMLD0ENAT5835017:001?
The molecular formula of UPCMLD0ENAT5835017:001 is C21H28N8O3S.
What is the molecular weight of UPCMLD0ENAT5835017:001?
The molecular weight of UPCMLD0ENAT5835017:001 is 472.20 g/mol.
Where can I buy UPCMLD0ENAT5835017:001?
You can request a quote for UPCMLD0ENAT5835017:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835017:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835017:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.