1H-038
TL;DR: 1H-038 (CAS 321526-16-3) is a chemical compound with molecular formula C13H11ClF3N5O and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)pyrazole-4-carboxamide
Also Known As: 1H-038, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(dimethylaminomethylidene)pyrazole-4-carboxamide, 1-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-N-((dimethylamino)methylene)-1H-pyrazole-4-carboxamide, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]-1H-pyrazole-4-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(dimethylamino)methylidene]-1H-pyrazole-4-carboxamide
| Molecular Formula | C13H11ClF3N5O |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 2.6696 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.06042 |
| Heavy Atoms | 23 |
| Complexity | 754.30853 |
Chemical Identifiers
| CAS Number | 321526-16-3 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1=CN(N=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1H-038 (CAS 321526-16-3), with molecular formula C13H11ClF3N5O and molecular weight 345.06 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)pyrazole-4-carboxamide.
Chemical Property Profile of 1H-038
Property Insights of 1H-038
The XLogP value of 2.6696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-038. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-038. Following Lipinski's Rule of Five, 1H-038 has 0 hydrogen bond donor(s) and 3 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 1H-038?
The CAS number of 1H-038 is 321526-16-3.
What is the molecular formula of 1H-038?
The molecular formula of 1H-038 is C13H11ClF3N5O.
What is the molecular weight of 1H-038?
The molecular weight of 1H-038 is 345.06 g/mol.
Where can I buy 1H-038?
You can request a quote for 1H-038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-038?
Yes, KEHONG BIO provides custom synthesis services for 1H-038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.