A3533/0149693
TL;DR: A3533/0149693 (CAS 593271-71-7) is a chemical compound with molecular formula C19H18FN3O3 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: A3533/0149693, Pyrimidine-2,4,6-trione, 5-(1-tert-butyl-1H-pyrrol-2-ylmethylene)-1-(3-fluorophenyl)-, (5Z)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-3-(3-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione, (Z)-5-((1-(tert-butyl)-1H-pyrrol-2-yl)methylene)-1-(3-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C19H18FN3O3 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 3.0486 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.1332 |
| Heavy Atoms | 26 |
| Complexity | 937.50116 |
Chemical Identifiers
| CAS Number | 593271-71-7 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C1/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)F |
Product Overview
A3533/0149693 (CAS 593271-71-7), with molecular formula C19H18FN3O3 and molecular weight 355.13 g/mol. IUPAC: (5Z)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of A3533/0149693
Property Insights of A3533/0149693
The XLogP value of 3.0486 indicates that A3533/0149693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3533/0149693. Following Lipinski's Rule of Five, A3533/0149693 has 1 hydrogen bond donor(s) and 3 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 A3533/0149693?
The CAS number of A3533/0149693 is 593271-71-7.
What is the molecular formula of A3533/0149693?
The molecular formula of A3533/0149693 is C19H18FN3O3.
What is the molecular weight of A3533/0149693?
The molecular weight of A3533/0149693 is 355.13 g/mol.
Where can I buy A3533/0149693?
You can request a quote for A3533/0149693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3533/0149693?
Yes, KEHONG BIO provides custom synthesis services for A3533/0149693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.