ChemDiv2_004101
TL;DR: ChemDiv2_004101 (CAS 302931-44-8) is a chemical compound with molecular formula C22H25N3O6 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
Also Known As: ChemDiv2_004101, IDI1_002816, BAS 00478094, AB00979378-01, AE-848/32953049
| Molecular Formula | C22H25N3O6 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 2.2896 |
| Topological Polar Surface Area | 122.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.17435 |
| Heavy Atoms | 31 |
| Complexity | 1195.4777 |
Chemical Identifiers
| CAS Number | 302931-44-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
ChemDiv2_004101 (CAS 302931-44-8), with molecular formula C22H25N3O6 and molecular weight 427.17 g/mol. IUPAC: 8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione.
Chemical Property Profile of ChemDiv2_004101
Property Insights of ChemDiv2_004101
The XLogP value of 2.2896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004101. The TPSA of 122.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004101. Following Lipinski's Rule of Five, ChemDiv2_004101 has 3 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 ChemDiv2_004101?
The CAS number of ChemDiv2_004101 is 302931-44-8.
What is the molecular formula of ChemDiv2_004101?
The molecular formula of ChemDiv2_004101 is C22H25N3O6.
What is the molecular weight of ChemDiv2_004101?
The molecular weight of ChemDiv2_004101 is 427.17 g/mol.
Where can I buy ChemDiv2_004101?
You can request a quote for ChemDiv2_004101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004101?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.