2R-0112
TL;DR: 2R-0112 (CAS 477710-98-8) is a chemical compound with molecular formula C23H15ClF4N2O3S and molecular weight 510.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole
Also Known As: 2R-0112, 3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazole, 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole, 3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-[3-(trifluoromethyl)benzenesulfonyl]-1H-pyrazole, 3-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazole
| Molecular Formula | C23H15ClF4N2O3S |
|---|---|
| Molecular Weight | 510.04 g/mol |
| LogP | 6.1774 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.04282 |
| Heavy Atoms | 34 |
| Complexity | 1415.1033 |
Chemical Identifiers
| CAS Number | 477710-98-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N2C=CC(=N2)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)C(F)(F)F |
Product Overview
2R-0112 (CAS 477710-98-8), with molecular formula C23H15ClF4N2O3S and molecular weight 510.04 g/mol. IUPAC: 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole.
Chemical Property Profile of 2R-0112
Property Insights of 2R-0112
The XLogP value of 6.1774 indicates that 2R-0112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0112. Following Lipinski's Rule of Five, 2R-0112 has 0 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 2R-0112?
The CAS number of 2R-0112 is 477710-98-8.
What is the molecular formula of 2R-0112?
The molecular formula of 2R-0112 is C23H15ClF4N2O3S.
What is the molecular weight of 2R-0112?
The molecular weight of 2R-0112 is 510.04 g/mol.
Where can I buy 2R-0112?
You can request a quote for 2R-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0112?
Yes, KEHONG BIO provides custom synthesis services for 2R-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.