3H-091
TL;DR: 3H-091 (CAS 338407-77-5) is a chemical compound with molecular formula C18H11Cl2F3N2O2S2 and molecular weight 477.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzenesulfonamide
Also Known As: 3H-091, 4-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)benzenesulfonamide, 4-chloro-N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]benzenesulfonamide, 4-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)benzene-1-sulfonamide, 4-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)benzenesulfonamide
| Molecular Formula | C18H11Cl2F3N2O2S2 |
|---|---|
| Molecular Weight | 477.96 g/mol |
| LogP | 6.3592 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.9591 |
| Heavy Atoms | 29 |
| Complexity | 1138.5884 |
Chemical Identifiers
| CAS Number | 338407-77-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)SC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-091 (CAS 338407-77-5), with molecular formula C18H11Cl2F3N2O2S2 and molecular weight 477.96 g/mol. IUPAC: 4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzenesulfonamide.
Chemical Property Profile of 3H-091
Property Insights of 3H-091
The XLogP value of 6.3592 indicates that 3H-091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, 3H-091 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-091 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-091?
The CAS number of 3H-091 is 338407-77-5.
What is the molecular formula of 3H-091?
The molecular formula of 3H-091 is C18H11Cl2F3N2O2S2.
What is the molecular weight of 3H-091?
The molecular weight of 3H-091 is 477.96 g/mol.
Where can I buy 3H-091?
You can request a quote for 3H-091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-091?
Yes, KEHONG BIO provides custom synthesis services for 3H-091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.