3H-029
TL;DR: 3H-029 (CAS 338407-05-9) is a chemical compound with molecular formula C21H15ClF3NO5S and molecular weight 485.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propanoate
Also Known As: 3H-029, 5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenyl propionate, [2-(benzenesulfonyl)-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] propanoate, 2-(benzenesulfonyl)-5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl propanoate, 2-(benzenesulfonyl)-5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenylpropanoate
| Molecular Formula | C21H15ClF3NO5S |
|---|---|
| Molecular Weight | 485.03 g/mol |
| LogP | 5.6943 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.03116 |
| Heavy Atoms | 32 |
| Complexity | 1248.0352 |
Chemical Identifiers
| CAS Number | 338407-05-9 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3H-029 (CAS 338407-05-9), with molecular formula C21H15ClF3NO5S and molecular weight 485.03 g/mol. IUPAC: [2-(benzenesulfonyl)-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propanoate.
Chemical Property Profile of 3H-029
Property Insights of 3H-029
The XLogP value of 5.6943 indicates that 3H-029 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-029. Following Lipinski's Rule of Five, 3H-029 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-029?
The CAS number of 3H-029 is 338407-05-9.
What is the molecular formula of 3H-029?
The molecular formula of 3H-029 is C21H15ClF3NO5S.
What is the molecular weight of 3H-029?
The molecular weight of 3H-029 is 485.03 g/mol.
Where can I buy 3H-029?
You can request a quote for 3H-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-029?
Yes, KEHONG BIO provides custom synthesis services for 3H-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.