C15H9ClF6IN3O
TL;DR: C15H9ClF6IN3O (CAS 498568-94-8) is a chemical compound with molecular formula C15H9ClF6IN3O and molecular weight 522.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-chloro-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-iodobenzamide
Also Known As: N-(2-((5-chloropyridin-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-iodobenzamide, N-[2-[(5-chloropyridin-2-yl)amino]-1,1,1,3,3,3-hexafluoro-propan-2-yl]-2-iodo-benzamide, N-[2-[(5-chloropyridin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-iodobenzamide, N-{2-[(5-chloropyridin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-iodobenzamide
| Molecular Formula | C15H9ClF6IN3O |
|---|---|
| Molecular Weight | 522.94 g/mol |
| LogP | 5.0024 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.9383 |
| Heavy Atoms | 27 |
| Complexity | 811.53735 |
Chemical Identifiers
| CAS Number | 498568-94-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC=C(C=C2)Cl)I |
Product Overview
C15H9ClF6IN3O (CAS 498568-94-8), with molecular formula C15H9ClF6IN3O and molecular weight 522.94 g/mol. IUPAC: N-[2-[(5-chloro-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-iodobenzamide.
Chemical Property Profile of C15H9ClF6IN3O
Property Insights of C15H9ClF6IN3O
The XLogP value of 5.0024 indicates that C15H9ClF6IN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, C15H9ClF6IN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H9ClF6IN3O has 2 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 C15H9ClF6IN3O?
The CAS number of C15H9ClF6IN3O is 498568-94-8.
What is the molecular formula of C15H9ClF6IN3O?
The molecular formula of C15H9ClF6IN3O is C15H9ClF6IN3O.
What is the molecular weight of C15H9ClF6IN3O?
The molecular weight of C15H9ClF6IN3O is 522.94 g/mol.
Where can I buy C15H9ClF6IN3O?
You can request a quote for C15H9ClF6IN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H9ClF6IN3O?
Yes, KEHONG BIO provides custom synthesis services for C15H9ClF6IN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.