4H-006
TL;DR: 4H-006 (CAS 338420-73-8) is a chemical compound with molecular formula C17H12ClF3N2O3 and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxocyclohexen-1-yl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylate
Also Known As: 4H-006, 3-oxo-1-cyclohexenyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxylate, (3-oxocyclohexen-1-yl) 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carboxylate, 3-oxocyclohex-1-en-1-yl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxylate, 3-oxocyclohex-1-en-1-yl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-carboxylate
| Molecular Formula | C17H12ClF3N2O3 |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 4.3382 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.04886 |
| Heavy Atoms | 26 |
| Complexity | 902.8983 |
Chemical Identifiers
| CAS Number | 338420-73-8 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)OC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-006 (CAS 338420-73-8), with molecular formula C17H12ClF3N2O3 and molecular weight 384.05 g/mol. IUPAC: (3-oxocyclohexen-1-yl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylate.
Chemical Property Profile of 4H-006
Property Insights of 4H-006
The XLogP value of 4.3382 indicates that 4H-006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-006. Following Lipinski's Rule of Five, 4H-006 has 0 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 4H-006?
The CAS number of 4H-006 is 338420-73-8.
What is the molecular formula of 4H-006?
The molecular formula of 4H-006 is C17H12ClF3N2O3.
What is the molecular weight of 4H-006?
The molecular weight of 4H-006 is 384.05 g/mol.
Where can I buy 4H-006?
You can request a quote for 4H-006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-006?
Yes, KEHONG BIO provides custom synthesis services for 4H-006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.