C21H15ClF3N3
TL;DR: C21H15ClF3N3 (CAS 1027640-86-3) is a chemical compound with molecular formula C21H15ClF3N3 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
Also Known As: 2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine Hydrochloride, (2-phenylquinazolin-4-yl)[3-(trifluoromethyl)phenyl]amine, chloride, 2-phenyl-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine hydrochloride, C21H15ClF3N3
| Molecular Formula | C21H15ClF3N3 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 6.481 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.09067 |
| Heavy Atoms | 28 |
| Complexity | 1098.7478 |
Chemical Identifiers
| CAS Number | 1027640-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(F)(F)F.Cl |
Product Overview
C21H15ClF3N3 (CAS 1027640-86-3), with molecular formula C21H15ClF3N3 and molecular weight 401.09 g/mol. IUPAC: 2-phenyl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride.
Chemical Property Profile of C21H15ClF3N3
Property Insights of C21H15ClF3N3
The XLogP value of 6.481 indicates that C21H15ClF3N3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, C21H15ClF3N3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H15ClF3N3 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H15ClF3N3?
The CAS number of C21H15ClF3N3 is 1027640-86-3.
What is the molecular formula of C21H15ClF3N3?
The molecular formula of C21H15ClF3N3 is C21H15ClF3N3.
What is the molecular weight of C21H15ClF3N3?
The molecular weight of C21H15ClF3N3 is 401.09 g/mol.
Where can I buy C21H15ClF3N3?
You can request a quote for C21H15ClF3N3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H15ClF3N3?
Yes, KEHONG BIO provides custom synthesis services for C21H15ClF3N3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.