UPCMLD0ENAT5829969:001
TL;DR: UPCMLD0ENAT5829969:001 (CAS 498570-54-0) is a chemical compound with molecular formula C20H32N6O3 and molecular weight 404.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5829969:001, 1-(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide, 1-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide, 1-(3-methyl-7-octyl-2,6-dioxo-1,3,7-trihydropurin-8-yl)piperidine-4-carboxamid e
| Molecular Formula | C20H32N6O3 |
|---|---|
| Molecular Weight | 404.25 g/mol |
| LogP | 1.4855 |
| Topological Polar Surface Area | 119.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.2536 |
| Heavy Atoms | 29 |
| Complexity | 964.9775 |
Chemical Identifiers
| CAS Number | 498570-54-0 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5829969:001 (CAS 498570-54-0), with molecular formula C20H32N6O3 and molecular weight 404.25 g/mol. IUPAC: 1-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5829969:001
Property Insights of UPCMLD0ENAT5829969:001
The XLogP value of 1.4855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829969:001. The TPSA of 119.01 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829969:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829969:001 has 2 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5829969:001?
The CAS number of UPCMLD0ENAT5829969:001 is 498570-54-0.
What is the molecular formula of UPCMLD0ENAT5829969:001?
The molecular formula of UPCMLD0ENAT5829969:001 is C20H32N6O3.
What is the molecular weight of UPCMLD0ENAT5829969:001?
The molecular weight of UPCMLD0ENAT5829969:001 is 404.25 g/mol.
Where can I buy UPCMLD0ENAT5829969:001?
You can request a quote for UPCMLD0ENAT5829969:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829969:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829969:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.