3H-036
TL;DR: 3H-036 (CAS 400080-80-0) is a chemical compound with molecular formula C22H14Cl3F3N4O4S and molecular weight 591.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(3,4-dichloro-1-methylpyrazol-5-yl)oxybenzenesulfonamide
Also Known As: 3H-036, N-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzenesulfonamide, N-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide, N-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-4-(4,5-dichloro-2-methylpyrazol-3-yl)oxybenzenesulfonamide, N-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-4-[(4,5-dichloro-2-methylpyrazol-3-yl)oxy]benzenesulfonamide
| Molecular Formula | C22H14Cl3F3N4O4S |
|---|---|
| Molecular Weight | 591.98 g/mol |
| LogP | 7.1795 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.97534 |
| Heavy Atoms | 37 |
| Complexity | 1545.382 |
Chemical Identifiers
| CAS Number | 400080-80-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)Cl)Cl)OC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F)Cl |
Product Overview
3H-036 (CAS 400080-80-0), with molecular formula C22H14Cl3F3N4O4S and molecular weight 591.98 g/mol. IUPAC: N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(3,4-dichloro-1-methylpyrazol-5-yl)oxybenzenesulfonamide.
Chemical Property Profile of 3H-036
Property Insights of 3H-036
The XLogP value of 7.1795 indicates that 3H-036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-036. Following Lipinski's Rule of Five, 3H-036 has 1 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-036?
The CAS number of 3H-036 is 400080-80-0.
What is the molecular formula of 3H-036?
The molecular formula of 3H-036 is C22H14Cl3F3N4O4S.
What is the molecular weight of 3H-036?
The molecular weight of 3H-036 is 591.98 g/mol.
Where can I buy 3H-036?
You can request a quote for 3H-036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-036?
Yes, KEHONG BIO provides custom synthesis services for 3H-036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.