UPCMLD0ENAT5733452:001
TL;DR: UPCMLD0ENAT5733452:001 (CAS 587005-92-3) is a chemical compound with molecular formula C18H28N6O3 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5733452:001, 1-(7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, VU0607611-1, AB01299216-01, F3259-0467
| Molecular Formula | C18H28N6O3 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 0.1815 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.2223 |
| Heavy Atoms | 27 |
| Complexity | 975.61414 |
Chemical Identifiers
| CAS Number | 587005-92-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)C)C |
Product Overview
UPCMLD0ENAT5733452:001 (CAS 587005-92-3), with molecular formula C18H28N6O3 and molecular weight 376.22 g/mol. IUPAC: 1-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5733452:001
Property Insights of UPCMLD0ENAT5733452:001
The XLogP value of 0.1815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733452:001. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733452:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733452:001 has 1 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 UPCMLD0ENAT5733452:001?
The CAS number of UPCMLD0ENAT5733452:001 is 587005-92-3.
What is the molecular formula of UPCMLD0ENAT5733452:001?
The molecular formula of UPCMLD0ENAT5733452:001 is C18H28N6O3.
What is the molecular weight of UPCMLD0ENAT5733452:001?
The molecular weight of UPCMLD0ENAT5733452:001 is 376.22 g/mol.
Where can I buy UPCMLD0ENAT5733452:001?
You can request a quote for UPCMLD0ENAT5733452:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733452:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733452:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.