UPCMLD0ENAT5818681:001
TL;DR: UPCMLD0ENAT5818681:001 (CAS 895841-31-3) is a chemical compound with molecular formula C18H28N6O4 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate
Also Known As: UPCMLD0ENAT5818681:001, AB01307195-01, F2636-0143, methyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate, methyl {4-[6-hydroxy-3-methyl-7-(3-methylbutyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate
| Molecular Formula | C18H28N6O4 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | -0.2356 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.2172 |
| Heavy Atoms | 28 |
| Complexity | 964.83673 |
Chemical Identifiers
| CAS Number | 895841-31-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)CC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5818681:001 (CAS 895841-31-3), with molecular formula C18H28N6O4 and molecular weight 392.22 g/mol. IUPAC: methyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5818681:001
Property Insights of UPCMLD0ENAT5818681:001
The XLogP value of -0.2356 indicates that UPCMLD0ENAT5818681:001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5818681:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5818681:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5818681:001?
The CAS number of UPCMLD0ENAT5818681:001 is 895841-31-3.
What is the molecular formula of UPCMLD0ENAT5818681:001?
The molecular formula of UPCMLD0ENAT5818681:001 is C18H28N6O4.
What is the molecular weight of UPCMLD0ENAT5818681:001?
The molecular weight of UPCMLD0ENAT5818681:001 is 392.22 g/mol.
Where can I buy UPCMLD0ENAT5818681:001?
You can request a quote for UPCMLD0ENAT5818681:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5818681:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5818681:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.