ChemDiv1_007012
TL;DR: ChemDiv1_007012 (CAS 425652-73-9) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
Also Known As: ChemDiv1_007012, AB00105441-01, (4-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid, (E)-2-(4-((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)acetic acid, 2-(4-{[(5E)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-ETHOXYPHENOXY)ACETIC ACID
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 2.9776 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1079.6359 |
Chemical Identifiers
| CAS Number | 425652-73-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)O |
Product Overview
ChemDiv1_007012 (CAS 425652-73-9), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_007012
Property Insights of ChemDiv1_007012
The XLogP value of 2.9776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007012. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007012. Following Lipinski's Rule of Five, ChemDiv1_007012 has 2 hydrogen bond donor(s) and 6 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_007012?
The CAS number of ChemDiv1_007012 is 425652-73-9.
What is the molecular formula of ChemDiv1_007012?
The molecular formula of ChemDiv1_007012 is C21H17BrN2O7.
What is the molecular weight of ChemDiv1_007012?
The molecular weight of ChemDiv1_007012 is 488.02 g/mol.
Where can I buy ChemDiv1_007012?
You can request a quote for ChemDiv1_007012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007012?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.