AB00722108-01
TL;DR: AB00722108-01 (CAS 5460-66-2) is a chemical compound with molecular formula C28H28N4O5 and molecular weight 500.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
Also Known As: AB00722108-01, [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
| Molecular Formula | C28H28N4O5 |
|---|---|
| Molecular Weight | 500.21 g/mol |
| LogP | 3.4346 |
| Topological Polar Surface Area | 126.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.20596 |
| Heavy Atoms | 37 |
| Complexity | 1633.9447 |
Chemical Identifiers
| CAS Number | 5460-66-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=C(N(C(=O)N(C4=O)C)C)N |
Product Overview
AB00722108-01 (CAS 5460-66-2), with molecular formula C28H28N4O5 and molecular weight 500.21 g/mol. IUPAC: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate.
Chemical Property Profile of AB00722108-01
Property Insights of AB00722108-01
The XLogP value of 3.4346 indicates that AB00722108-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00722108-01. Following Lipinski's Rule of Five, AB00722108-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00722108-01?
The CAS number of AB00722108-01 is 5460-66-2.
What is the molecular formula of AB00722108-01?
The molecular formula of AB00722108-01 is C28H28N4O5.
What is the molecular weight of AB00722108-01?
The molecular weight of AB00722108-01 is 500.21 g/mol.
Where can I buy AB00722108-01?
You can request a quote for AB00722108-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00722108-01?
Yes, KEHONG BIO provides custom synthesis services for AB00722108-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.