ChemDiv1_007822
TL;DR: ChemDiv1_007822 (CAS 370586-71-3) is a chemical compound with molecular formula C23H13BrF3NO6 and molecular weight 534.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate
Also Known As: ChemDiv1_007822, 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-bromopyridine-3-carboxylate, 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 5-bromonicotinate, 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl 5-bromopyridine-3-c arboxylate
| Molecular Formula | C23H13BrF3NO6 |
|---|---|
| Molecular Weight | 534.99 g/mol |
| LogP | 5.9894 |
| Topological Polar Surface Area | 87.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.98785 |
| Heavy Atoms | 34 |
| Complexity | 1433.8329 |
Chemical Identifiers
| CAS Number | 370586-71-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_007822 (CAS 370586-71-3), with molecular formula C23H13BrF3NO6 and molecular weight 534.99 g/mol. IUPAC: [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_007822
Property Insights of ChemDiv1_007822
The XLogP value of 5.9894 indicates that ChemDiv1_007822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007822. Following Lipinski's Rule of Five, ChemDiv1_007822 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007822?
The CAS number of ChemDiv1_007822 is 370586-71-3.
What is the molecular formula of ChemDiv1_007822?
The molecular formula of ChemDiv1_007822 is C23H13BrF3NO6.
What is the molecular weight of ChemDiv1_007822?
The molecular weight of ChemDiv1_007822 is 534.99 g/mol.
Where can I buy ChemDiv1_007822?
You can request a quote for ChemDiv1_007822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007822?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.