CCRIS 7638
TL;DR: CCRIS 7638 (CAS 129004-01-9) is a chemical compound with molecular formula C38H30CuF6N6O6 and molecular weight 843.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;bis(pyridin-3-ylmethanol);bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate)
Also Known As: Bis(3-pyridinemethanol-N(1))bis(2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylato-N(2),O(3))copper, copper; pyridin-3-ylmethanol; 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate, BIS(3-PYRIDINEMETHANOL-N(1))BIS(2-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)-3-PYRIDINECARBOXYLATO-N(2),O(3) )COPPER, Copper(2+) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate--(pyridin-3-yl)methanol (1/2/2)
| Molecular Formula | C38H30CuF6N6O6 |
|---|---|
| Molecular Weight | 843.14 g/mol |
| LogP | 5.5603 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 843.1427 |
| Heavy Atoms | 57 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 129004-01-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.C1=CC(=CN=C1)CO.C1=CC(=CN=C1)CO.[Cu+2] |
| InChIKey | YSPZLFQTOXIQEQ-UHFFFAOYSA-L |
Product Overview
CCRIS 7638 (CAS 129004-01-9), with molecular formula C38H30CuF6N6O6 and molecular weight 843.14 g/mol. IUPAC: copper;bis(pyridin-3-ylmethanol);bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate).
Chemical Property Profile of CCRIS 7638
Property Insights of CCRIS 7638
The XLogP value of 5.5603 indicates that CCRIS 7638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting CCRIS 7638 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CCRIS 7638 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCRIS 7638?
The CAS number of CCRIS 7638 is 129004-01-9.
What is the molecular formula of CCRIS 7638?
The molecular formula of CCRIS 7638 is C38H30CuF6N6O6.
What is the molecular weight of CCRIS 7638?
The molecular weight of CCRIS 7638 is 843.14 g/mol.
Where can I buy CCRIS 7638?
You can request a quote for CCRIS 7638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 7638?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 7638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.