CDS1_003827
TL;DR: CDS1_003827 (CAS 347379-16-2) is a chemical compound with molecular formula C23H21BrN2O6 and molecular weight 500.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Also Known As: CDS1_003827, BIM-0017352.P001, ethyl (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate, (E)-ethyl 2-(2-bromo-4-((1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, ethyl 2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C23H21BrN2O6 |
|---|---|
| Molecular Weight | 500.06 g/mol |
| LogP | 3.67424 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.0583 |
| Heavy Atoms | 32 |
| Complexity | 1121.0516 |
Chemical Identifiers
| CAS Number | 347379-16-2 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Br |
Product Overview
CDS1_003827 (CAS 347379-16-2), with molecular formula C23H21BrN2O6 and molecular weight 500.06 g/mol. IUPAC: ethyl 2-[2-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of CDS1_003827
Property Insights of CDS1_003827
The XLogP value of 3.67424 indicates that CDS1_003827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003827. Following Lipinski's Rule of Five, CDS1_003827 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_003827?
The CAS number of CDS1_003827 is 347379-16-2.
What is the molecular formula of CDS1_003827?
The molecular formula of CDS1_003827 is C23H21BrN2O6.
What is the molecular weight of CDS1_003827?
The molecular weight of CDS1_003827 is 500.06 g/mol.
Where can I buy CDS1_003827?
You can request a quote for CDS1_003827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003827?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.