ChemDiv1_026545
TL;DR: ChemDiv1_026545 (CAS 302931-48-2) is a chemical compound with molecular formula C19H18BrN3O3 and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
Also Known As: ChemDiv1_026545, DivK1c_004289, IFLab1_005276, CDS1_003249, BAS 00478151
| Molecular Formula | C19H18BrN3O3 |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 3.0263 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 415.05316 |
| Heavy Atoms | 26 |
| Complexity | 1060.6724 |
Chemical Identifiers
| CAS Number | 302931-48-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)Br)C(=O)C1)C |
Product Overview
ChemDiv1_026545 (CAS 302931-48-2), with molecular formula C19H18BrN3O3 and molecular weight 415.05 g/mol. IUPAC: 5-(4-bromophenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione.
Chemical Property Profile of ChemDiv1_026545
Property Insights of ChemDiv1_026545
The XLogP value of 3.0263 indicates that ChemDiv1_026545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026545. Following Lipinski's Rule of Five, ChemDiv1_026545 has 3 hydrogen bond donor(s) and 4 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 ChemDiv1_026545?
The CAS number of ChemDiv1_026545 is 302931-48-2.
What is the molecular formula of ChemDiv1_026545?
The molecular formula of ChemDiv1_026545 is C19H18BrN3O3.
What is the molecular weight of ChemDiv1_026545?
The molecular weight of ChemDiv1_026545 is 415.05 g/mol.
Where can I buy ChemDiv1_026545?
You can request a quote for ChemDiv1_026545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026545?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.