CRA-0450 free base
TL;DR: CRA-0450 free base (CAS 388122-48-3) is a chemical compound with molecular formula C22H19Cl2N3O and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
Also Known As: CRA-0450 free base, R-278995 free base, J2.731.166K, R-278995, 4-Pyridinecarboxamide, 1-(8-(2,4-dichlorophenyl)-2-methyl-4-quinolinyl)-1,2,3,6-tetrahydro-
| Molecular Formula | C22H19Cl2N3O |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 5.13882 |
| Topological Polar Surface Area | 59.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.0905 |
| Heavy Atoms | 28 |
| Complexity | 1124.2101 |
Chemical Identifiers
| CAS Number | 388122-48-3 |
|---|---|
| SMILES | CC1=CC(=C2C=CC=C(C2=N1)C3=C(C=C(C=C3)Cl)Cl)N4CCC(=CC4)C(=O)N |
Product Overview
CRA-0450 free base (CAS 388122-48-3), with molecular formula C22H19Cl2N3O and molecular weight 411.09 g/mol. IUPAC: 1-[8-(2,4-dichlorophenyl)-2-methylquinolin-4-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.
Chemical Property Profile of CRA-0450 free base
Property Insights of CRA-0450 free base
The XLogP value of 5.13882 indicates that CRA-0450 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.22 Ų, CRA-0450 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CRA-0450 free base has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CRA-0450 free base?
The CAS number of CRA-0450 free base is 388122-48-3.
What is the molecular formula of CRA-0450 free base?
The molecular formula of CRA-0450 free base is C22H19Cl2N3O.
What is the molecular weight of CRA-0450 free base?
The molecular weight of CRA-0450 free base is 411.09 g/mol.
Where can I buy CRA-0450 free base?
You can request a quote for CRA-0450 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRA-0450 free base?
Yes, KEHONG BIO provides custom synthesis services for CRA-0450 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.