3H-916
TL;DR: 3H-916 (CAS 338409-99-7) is a chemical compound with molecular formula C21H14ClF3N2O4 and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 3H-916, 5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C21H14ClF3N2O4 |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 4.9172 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.05942 |
| Heavy Atoms | 31 |
| Complexity | 1239.2336 |
Chemical Identifiers
| CAS Number | 338409-99-7 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CN(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl)C(=O)O1)C |
Product Overview
3H-916 (CAS 338409-99-7), with molecular formula C21H14ClF3N2O4 and molecular weight 450.06 g/mol. IUPAC: 5-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 3H-916
Property Insights of 3H-916
The XLogP value of 4.9172 indicates that 3H-916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-916. Following Lipinski's Rule of Five, 3H-916 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-916?
The CAS number of 3H-916 is 338409-99-7.
What is the molecular formula of 3H-916?
The molecular formula of 3H-916 is C21H14ClF3N2O4.
What is the molecular weight of 3H-916?
The molecular weight of 3H-916 is 450.06 g/mol.
Where can I buy 3H-916?
You can request a quote for 3H-916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-916?
Yes, KEHONG BIO provides custom synthesis services for 3H-916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.