C27H22ClN3O3
TL;DR: C27H22ClN3O3 (CAS 586993-50-2) is a chemical compound with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione, (E)-5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1-(3-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C27H22ClN3O3 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.9592 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.13498 |
| Heavy Atoms | 34 |
| Complexity | 1319.7054 |
Chemical Identifiers
| CAS Number | 586993-50-2 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)N(C1)CC5=CC=CC=C5 |
Product Overview
C27H22ClN3O3 (CAS 586993-50-2), with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol. IUPAC: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of C27H22ClN3O3
Property Insights of C27H22ClN3O3
The XLogP value of 4.9592 indicates that C27H22ClN3O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H22ClN3O3. Following Lipinski's Rule of Five, C27H22ClN3O3 has 1 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 C27H22ClN3O3?
The CAS number of C27H22ClN3O3 is 586993-50-2.
What is the molecular formula of C27H22ClN3O3?
The molecular formula of C27H22ClN3O3 is C27H22ClN3O3.
What is the molecular weight of C27H22ClN3O3?
The molecular weight of C27H22ClN3O3 is 471.13 g/mol.
Where can I buy C27H22ClN3O3?
You can request a quote for C27H22ClN3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H22ClN3O3?
Yes, KEHONG BIO provides custom synthesis services for C27H22ClN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.