RefChem:351565
TL;DR: RefChem:351565 (CAS 29114-45-2) is a chemical compound with molecular formula C22H14F6N2O3 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
Also Known As: m-Isophthalotoluidide, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-4-hydroxy-, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-4-hydroxy-m-isophthalotoluidide, 4-hydroxy-1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, 1,3-Benzenedicarboxamide,4-hydroxy-N1,N3-bis[3-(trifluoromethyl)phenyl]-, 4-Hydroxy-N~1~,N~3~-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
| Molecular Formula | C22H14F6N2O3 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.09085 |
| Heavy Atoms | 33 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 29114-45-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F |
| InChIKey | PBMASPAGPGDPIZ-UHFFFAOYSA-N |
Product Overview
RefChem:351565 (CAS 29114-45-2), with molecular formula C22H14F6N2O3 and molecular weight 468.09 g/mol. IUPAC: 4-hydroxy-1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
Chemical Property Profile of RefChem:351565
Property Insights of RefChem:351565
The XLogP value of 5.6 indicates that RefChem:351565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351565. Following Lipinski's Rule of Five, RefChem:351565 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:351565?
The CAS number of RefChem:351565 is 29114-45-2.
What is the molecular formula of RefChem:351565?
The molecular formula of RefChem:351565 is C22H14F6N2O3.
What is the molecular weight of RefChem:351565?
The molecular weight of RefChem:351565 is 468.09 g/mol.
Where can I buy RefChem:351565?
You can request a quote for RefChem:351565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.