C646
TL;DR: C646 (CAS 328968-36-1) is a chemical compound with molecular formula C24H19N3O6 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: C646, C-646, EX-A1063, C 646, C646?
| Molecular Formula | C24H19N3O6 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 4.97594 |
| Topological Polar Surface Area | 126.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.12738 |
| Heavy Atoms | 33 |
| Complexity | 1365.3364 |
Chemical Identifiers
| CAS Number | 328968-36-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C |
Product Overview
C646 (CAS 328968-36-1), with molecular formula C24H19N3O6 and molecular weight 445.13 g/mol. IUPAC: 4-[(4E)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of C646
Property Insights of C646
The XLogP value of 4.97594 indicates that C646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.25 Ų falls within the moderate polarity range, balancing permeability and solubility for C646. Following Lipinski's Rule of Five, C646 has 1 hydrogen bond donor(s) and 6 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 C646?
The CAS number of C646 is 328968-36-1.
What is the molecular formula of C646?
The molecular formula of C646 is C24H19N3O6.
What is the molecular weight of C646?
The molecular weight of C646 is 445.13 g/mol.
Where can I buy C646?
You can request a quote for C646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C646?
Yes, KEHONG BIO provides custom synthesis services for C646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.