IDI1_021725
TL;DR: IDI1_021725 (CAS 470673-94-0) is a chemical compound with molecular formula C23H18FN3O5 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: IDI1_021725, BRD-K15740333-001-01-5, (E)-ethyl 2-(3-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetate, ethyl (3-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate, ethyl (3-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
| Molecular Formula | C23H18FN3O5 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 3.0099 |
| Topological Polar Surface Area | 97.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12305 |
| Heavy Atoms | 32 |
| Complexity | 1276.5288 |
Chemical Identifiers
| CAS Number | 470673-94-0 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
IDI1_021725 (CAS 470673-94-0), with molecular formula C23H18FN3O5 and molecular weight 435.12 g/mol. IUPAC: ethyl 2-[3-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of IDI1_021725
Property Insights of IDI1_021725
The XLogP value of 3.0099 indicates that IDI1_021725 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.71 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_021725. Following Lipinski's Rule of Five, IDI1_021725 has 1 hydrogen bond donor(s) and 5 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 IDI1_021725?
The CAS number of IDI1_021725 is 470673-94-0.
What is the molecular formula of IDI1_021725?
The molecular formula of IDI1_021725 is C23H18FN3O5.
What is the molecular weight of IDI1_021725?
The molecular weight of IDI1_021725 is 435.12 g/mol.
Where can I buy IDI1_021725?
You can request a quote for IDI1_021725 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021725?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.