AB00980408-01
TL;DR: AB00980408-01 (CAS 854358-01-3) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-1-propyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
Also Known As: AB00980408-01, 5-(4-ethoxyphenyl)-1-propyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione, 5-(4-ethoxyphenyl)-1-propyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione, 5-(4-Ethoxyphenyl)-5,8,9,10-tetrahydro-1-propylpyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
| Molecular Formula | C22H25N3O4 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 2.9098 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.1845 |
| Heavy Atoms | 29 |
| Complexity | 1092.521 |
Chemical Identifiers
| CAS Number | 854358-01-3 |
|---|---|
| SMILES | CCCN1C2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC)C(=O)NC1=O |
Product Overview
AB00980408-01 (CAS 854358-01-3), with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol. IUPAC: 5-(4-ethoxyphenyl)-1-propyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione.
Chemical Property Profile of AB00980408-01
Property Insights of AB00980408-01
The XLogP value of 2.9098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00980408-01. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00980408-01. Following Lipinski's Rule of Five, AB00980408-01 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 AB00980408-01?
The CAS number of AB00980408-01 is 854358-01-3.
What is the molecular formula of AB00980408-01?
The molecular formula of AB00980408-01 is C22H25N3O4.
What is the molecular weight of AB00980408-01?
The molecular weight of AB00980408-01 is 395.18 g/mol.
Where can I buy AB00980408-01?
You can request a quote for AB00980408-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00980408-01?
Yes, KEHONG BIO provides custom synthesis services for AB00980408-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.