9G-951
TL;DR: 9G-951 (CAS 400089-19-2) is a chemical compound with molecular formula C19H18BrF3N2O3 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 9G-951, 1-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea, N-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-N-methyl-N'-[3-(trifluoromethyl)phenyl]urea, 1-[6-bromo-3-(hydroxymethyl)chroman-4-yl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea, 3-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C19H18BrF3N2O3 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.6738 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.0453 |
| Heavy Atoms | 28 |
| Complexity | 875.7426 |
Chemical Identifiers
| CAS Number | 400089-19-2 |
|---|---|
| SMILES | CN(C1C(COC2=C1C=C(C=C2)Br)CO)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
9G-951 (CAS 400089-19-2), with molecular formula C19H18BrF3N2O3 and molecular weight 458.05 g/mol. IUPAC: 1-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 9G-951
Property Insights of 9G-951
The XLogP value of 4.6738 indicates that 9G-951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9G-951. Following Lipinski's Rule of Five, 9G-951 has 2 hydrogen bond donor(s) and 3 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 9G-951?
The CAS number of 9G-951 is 400089-19-2.
What is the molecular formula of 9G-951?
The molecular formula of 9G-951 is C19H18BrF3N2O3.
What is the molecular weight of 9G-951?
The molecular weight of 9G-951 is 458.05 g/mol.
Where can I buy 9G-951?
You can request a quote for 9G-951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9G-951?
Yes, KEHONG BIO provides custom synthesis services for 9G-951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.