A3105/0131518
TL;DR: A3105/0131518 (CAS 537019-74-2) is a chemical compound with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-benzylindol-3-yl)methylidene]-1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: A3105/0131518, (5E)-5-[(1-benzylindol-3-yl)methylidene]-1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-[(1-BENZYL-1H-INDOL-3-YL)METHYLIDENE]-1-(2-ETHYLPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE, (5E)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-5-((1-benzyl-1H-indol-3-yl)methylene)-1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C28H23N3O3 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 4.9184 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.17395 |
| Heavy Atoms | 34 |
| Complexity | 1450.3 |
Chemical Identifiers
| CAS Number | 537019-74-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C(=O)NC2=O |
Product Overview
A3105/0131518 (CAS 537019-74-2), with molecular formula C28H23N3O3 and molecular weight 449.17 g/mol. IUPAC: (5E)-5-[(1-benzylindol-3-yl)methylidene]-1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of A3105/0131518
Property Insights of A3105/0131518
The XLogP value of 4.9184 indicates that A3105/0131518 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 A3105/0131518. Following Lipinski's Rule of Five, A3105/0131518 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 A3105/0131518?
The CAS number of A3105/0131518 is 537019-74-2.
What is the molecular formula of A3105/0131518?
The molecular formula of A3105/0131518 is C28H23N3O3.
What is the molecular weight of A3105/0131518?
The molecular weight of A3105/0131518 is 449.17 g/mol.
Where can I buy A3105/0131518?
You can request a quote for A3105/0131518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3105/0131518?
Yes, KEHONG BIO provides custom synthesis services for A3105/0131518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.