C23H13ClF6N2O5S
TL;DR: C23H13ClF6N2O5S (CAS 1024913-91-4) is a chemical compound with molecular formula C23H13ClF6N2O5S and molecular weight 578.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
Also Known As: 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE, 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-3-methoxy-phenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile, 3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-3-methoxyphenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile, C23H13ClF6N2O5S
| Molecular Formula | C23H13ClF6N2O5S |
|---|---|
| Molecular Weight | 578.01 g/mol |
| LogP | 6.79168 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.0138 |
| Heavy Atoms | 38 |
| Complexity | 1515.2186 |
Chemical Identifiers
| CAS Number | 1024913-91-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
C23H13ClF6N2O5S (CAS 1024913-91-4), with molecular formula C23H13ClF6N2O5S and molecular weight 578.01 g/mol. IUPAC: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile.
Chemical Property Profile of C23H13ClF6N2O5S
Property Insights of C23H13ClF6N2O5S
The XLogP value of 6.79168 indicates that C23H13ClF6N2O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H13ClF6N2O5S. Following Lipinski's Rule of Five, C23H13ClF6N2O5S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H13ClF6N2O5S?
The CAS number of C23H13ClF6N2O5S is 1024913-91-4.
What is the molecular formula of C23H13ClF6N2O5S?
The molecular formula of C23H13ClF6N2O5S is C23H13ClF6N2O5S.
What is the molecular weight of C23H13ClF6N2O5S?
The molecular weight of C23H13ClF6N2O5S is 578.01 g/mol.
Where can I buy C23H13ClF6N2O5S?
You can request a quote for C23H13ClF6N2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H13ClF6N2O5S?
Yes, KEHONG BIO provides custom synthesis services for C23H13ClF6N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.