3H-035
TL;DR: 3H-035 (CAS 338407-15-1) is a chemical compound with molecular formula C23H19ClF3NO6S and molecular weight 529.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
Also Known As: 3H-035, ethyl 2-[4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenoxy]propanoate, ethyl 2-[2-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate, ethyl 2-[2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy]propanoate, Ethyl 2-[2-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-phenoxy]propanoate
| Molecular Formula | C23H19ClF3NO6S |
|---|---|
| Molecular Weight | 529.06 g/mol |
| LogP | 5.7093 |
| Topological Polar Surface Area | 91.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.0574 |
| Heavy Atoms | 35 |
| Complexity | 1316.577 |
Chemical Identifiers
| CAS Number | 338407-15-1 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=C(C=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3H-035 (CAS 338407-15-1), with molecular formula C23H19ClF3NO6S and molecular weight 529.06 g/mol. IUPAC: ethyl 2-[2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.
Chemical Property Profile of 3H-035
Property Insights of 3H-035
The XLogP value of 5.7093 indicates that 3H-035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-035. Following Lipinski's Rule of Five, 3H-035 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 3H-035?
The CAS number of 3H-035 is 338407-15-1.
What is the molecular formula of 3H-035?
The molecular formula of 3H-035 is C23H19ClF3NO6S.
What is the molecular weight of 3H-035?
The molecular weight of 3H-035 is 529.06 g/mol.
Where can I buy 3H-035?
You can request a quote for 3H-035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-035?
Yes, KEHONG BIO provides custom synthesis services for 3H-035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.