TimTec1_004049
TL;DR: TimTec1_004049 (CAS 22281-30-7) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
Also Known As: TimTec1_004049, BIM-0048465.P001, 5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione, AE-848/32191003, BRD-A17721913-001-01-3
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.2724 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 1073.641 |
Chemical Identifiers
| CAS Number | 22281-30-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)OC)C(=O)C1)C |
Product Overview
TimTec1_004049 (CAS 22281-30-7), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: 5-(4-methoxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione.
Chemical Property Profile of TimTec1_004049
Property Insights of TimTec1_004049
The XLogP value of 2.2724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004049. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004049. Following Lipinski's Rule of Five, TimTec1_004049 has 3 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 TimTec1_004049?
The CAS number of TimTec1_004049 is 22281-30-7.
What is the molecular formula of TimTec1_004049?
The molecular formula of TimTec1_004049 is C20H21N3O4.
What is the molecular weight of TimTec1_004049?
The molecular weight of TimTec1_004049 is 367.15 g/mol.
Where can I buy TimTec1_004049?
You can request a quote for TimTec1_004049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004049?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.