C9H6ClF6NOS
TL;DR: C9H6ClF6NOS (CAS 478047-16-4) is a chemical compound with molecular formula C9H6ClF6NOS and molecular weight 324.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,1,1-trifluoropropan-2-ol
Also Known As: 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1,1,1-trifluoro-2-propanol, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1,1,1-trifluoropropan-2-ol, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,1,1-trifluoropropan-2-ol, 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1,1,1-trifluoro-2-propanol, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1,1,1-trifluoro-propan-2-ol
| Molecular Formula | C9H6ClF6NOS |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 3.7691 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.9763 |
| Heavy Atoms | 19 |
| Complexity | 449.31647 |
Chemical Identifiers
| CAS Number | 478047-16-4 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)SCC(C(F)(F)F)O)C(F)(F)F |
Product Overview
C9H6ClF6NOS (CAS 478047-16-4), with molecular formula C9H6ClF6NOS and molecular weight 324.98 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,1,1-trifluoropropan-2-ol.
Chemical Property Profile of C9H6ClF6NOS
Property Insights of C9H6ClF6NOS
The XLogP value of 3.7691 indicates that C9H6ClF6NOS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.12 Ų, C9H6ClF6NOS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9H6ClF6NOS has 1 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 C9H6ClF6NOS?
The CAS number of C9H6ClF6NOS is 478047-16-4.
What is the molecular formula of C9H6ClF6NOS?
The molecular formula of C9H6ClF6NOS is C9H6ClF6NOS.
What is the molecular weight of C9H6ClF6NOS?
The molecular weight of C9H6ClF6NOS is 324.98 g/mol.
Where can I buy C9H6ClF6NOS?
You can request a quote for C9H6ClF6NOS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H6ClF6NOS?
Yes, KEHONG BIO provides custom synthesis services for C9H6ClF6NOS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.