C12H11ClF3N3O3
TL;DR: C12H11ClF3N3O3 (CAS 339096-60-5) is a chemical compound with molecular formula C12H11ClF3N3O3 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-4-oxobut-2-enoic acid
Also Known As: 4-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-amino}ethyl)amino]-4-oxo-2-butenoic acid, 4-((2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)amino)-4-oxobut-2-enoic acid, 3-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)carbamoyl]prop-2-enoic acid, 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylcarbamoyl]prop-2-enoic Acid, 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]-4-oxo-2-butenoic acid
| Molecular Formula | C12H11ClF3N3O3 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 1.9227 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0441 |
| Heavy Atoms | 22 |
| Complexity | 590.7146 |
Chemical Identifiers
| CAS Number | 339096-60-5 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)NCCNC(=O)C=CC(=O)O)C(F)(F)F |
Product Overview
C12H11ClF3N3O3 (CAS 339096-60-5), with molecular formula C12H11ClF3N3O3 and molecular weight 337.04 g/mol. IUPAC: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of C12H11ClF3N3O3
Property Insights of C12H11ClF3N3O3
The XLogP value of 1.9227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H11ClF3N3O3. The TPSA of 91.32 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H11ClF3N3O3. Following Lipinski's Rule of Five, C12H11ClF3N3O3 has 3 hydrogen bond donor(s) and 4 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 C12H11ClF3N3O3?
The CAS number of C12H11ClF3N3O3 is 339096-60-5.
What is the molecular formula of C12H11ClF3N3O3?
The molecular formula of C12H11ClF3N3O3 is C12H11ClF3N3O3.
What is the molecular weight of C12H11ClF3N3O3?
The molecular weight of C12H11ClF3N3O3 is 337.04 g/mol.
Where can I buy C12H11ClF3N3O3?
You can request a quote for C12H11ClF3N3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H11ClF3N3O3?
Yes, KEHONG BIO provides custom synthesis services for C12H11ClF3N3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.