3H-912
TL;DR: 3H-912 (CAS 338409-95-3) is a chemical compound with molecular formula C21H14ClF3N4O3 and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 3H-912, 5-[[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-isoindol-3-yl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-isoindol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H14ClF3N4O3 |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 3.6227 |
| Topological Polar Surface Area | 82.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.07065 |
| Heavy Atoms | 32 |
| Complexity | 1213.0359 |
Chemical Identifiers
| CAS Number | 338409-95-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=NC(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl)C(=O)N(C1=O)C |
Product Overview
3H-912 (CAS 338409-95-3), with molecular formula C21H14ClF3N4O3 and molecular weight 462.07 g/mol. IUPAC: 5-[[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 3H-912
Property Insights of 3H-912
The XLogP value of 3.6227 indicates that 3H-912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-912. Following Lipinski's Rule of Five, 3H-912 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-912?
The CAS number of 3H-912 is 338409-95-3.
What is the molecular formula of 3H-912?
The molecular formula of 3H-912 is C21H14ClF3N4O3.
What is the molecular weight of 3H-912?
The molecular weight of 3H-912 is 462.07 g/mol.
Where can I buy 3H-912?
You can request a quote for 3H-912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-912?
Yes, KEHONG BIO provides custom synthesis services for 3H-912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.