ChemDiv1_006706
TL;DR: ChemDiv1_006706 (CAS 425654-75-7) is a chemical compound with molecular formula C23H18BrN3O5 and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
Also Known As: ChemDiv1_006706, (E)-ethyl 2-(3-((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetate, ethyl (3-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate, ETHYL 2-(3-{[(5E)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-1H-INDOL-1-YL)ACETATE, ethyl 2-[3-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
| Molecular Formula | C23H18BrN3O5 |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | 3.6333 |
| Topological Polar Surface Area | 97.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.04297 |
| Heavy Atoms | 32 |
| Complexity | 1276.5288 |
Chemical Identifiers
| CAS Number | 425654-75-7 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_006706 (CAS 425654-75-7), with molecular formula C23H18BrN3O5 and molecular weight 495.04 g/mol. IUPAC: ethyl 2-[3-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate.
Chemical Property Profile of ChemDiv1_006706
Property Insights of ChemDiv1_006706
The XLogP value of 3.6333 indicates that ChemDiv1_006706 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 ChemDiv1_006706. Following Lipinski's Rule of Five, ChemDiv1_006706 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 ChemDiv1_006706?
The CAS number of ChemDiv1_006706 is 425654-75-7.
What is the molecular formula of ChemDiv1_006706?
The molecular formula of ChemDiv1_006706 is C23H18BrN3O5.
What is the molecular weight of ChemDiv1_006706?
The molecular weight of ChemDiv1_006706 is 495.04 g/mol.
Where can I buy ChemDiv1_006706?
You can request a quote for ChemDiv1_006706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006706?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.