C20H13ClF3N5OS
TL;DR: C20H13ClF3N5OS (CAS 335223-81-9) is a chemical compound with molecular formula C20H13ClF3N5OS and molecular weight 463.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: BAS 02833102, F1874-0140, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C20H13ClF3N5OS |
|---|---|
| Molecular Weight | 463.05 g/mol |
| LogP | 5.2185 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.04816 |
| Heavy Atoms | 31 |
| Complexity | 1246.7831 |
Chemical Identifiers
| CAS Number | 335223-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
C20H13ClF3N5OS (CAS 335223-81-9), with molecular formula C20H13ClF3N5OS and molecular weight 463.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of C20H13ClF3N5OS
Property Insights of C20H13ClF3N5OS
The XLogP value of 5.2185 indicates that C20H13ClF3N5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H13ClF3N5OS. Following Lipinski's Rule of Five, C20H13ClF3N5OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H13ClF3N5OS?
The CAS number of C20H13ClF3N5OS is 335223-81-9.
What is the molecular formula of C20H13ClF3N5OS?
The molecular formula of C20H13ClF3N5OS is C20H13ClF3N5OS.
What is the molecular weight of C20H13ClF3N5OS?
The molecular weight of C20H13ClF3N5OS is 463.05 g/mol.
Where can I buy C20H13ClF3N5OS?
You can request a quote for C20H13ClF3N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H13ClF3N5OS?
Yes, KEHONG BIO provides custom synthesis services for C20H13ClF3N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.