3H-068
TL;DR: 3H-068 (CAS 338407-45-7) is a chemical compound with molecular formula C25H14Cl2F3NO5S and molecular weight 566.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-chlorobenzoate
Also Known As: 3H-068, [2-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-chlorobenzoate, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenyl 4-chlorobenzenecarboxylate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl 4-chlorobenzoate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl4-chlorobenzoate
| Molecular Formula | C25H14Cl2F3NO5S |
|---|---|
| Molecular Weight | 566.99 g/mol |
| LogP | 7.2515 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.9922 |
| Heavy Atoms | 37 |
| Complexity | 1562.0111 |
Chemical Identifiers
| CAS Number | 338407-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
3H-068 (CAS 338407-45-7), with molecular formula C25H14Cl2F3NO5S and molecular weight 566.99 g/mol. IUPAC: [2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 3H-068
Property Insights of 3H-068
The XLogP value of 7.2515 indicates that 3H-068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-068. Following Lipinski's Rule of Five, 3H-068 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-068?
The CAS number of 3H-068 is 338407-45-7.
What is the molecular formula of 3H-068?
The molecular formula of 3H-068 is C25H14Cl2F3NO5S.
What is the molecular weight of 3H-068?
The molecular weight of 3H-068 is 566.99 g/mol.
Where can I buy 3H-068?
You can request a quote for 3H-068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-068?
Yes, KEHONG BIO provides custom synthesis services for 3H-068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.