COR 3449
TL;DR: COR 3449 (CAS 90494-53-4) is a chemical compound with molecular formula C27H29N3O2 and molecular weight 427.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one
Also Known As: COR 3449, 3-((2-(2-(4-(2-Methylphenyl)-1-piperazinyl)ethyl)phenyl)amino)-1(3H)-isobenzofuranone, (((Methyl-2 phenyl)-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone [French], (((Methyl-2 phenyl)-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone, 1(3H)-Isobenzofuranone, 3-((2-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)phenyl)amino)-
| Molecular Formula | C27H29N3O2 |
|---|---|
| Molecular Weight | 427.23 g/mol |
| LogP | 4.64082 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22598 |
| Heavy Atoms | 32 |
| Complexity | 1105.3154 |
Chemical Identifiers
| CAS Number | 90494-53-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4 |
Product Overview
COR 3449 (CAS 90494-53-4), with molecular formula C27H29N3O2 and molecular weight 427.23 g/mol. IUPAC: 3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one.
Chemical Property Profile of COR 3449
Property Insights of COR 3449
The XLogP value of 4.64082 indicates that COR 3449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, COR 3449 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, COR 3449 has 1 hydrogen bond donor(s) and 5 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 COR 3449?
The CAS number of COR 3449 is 90494-53-4.
What is the molecular formula of COR 3449?
The molecular formula of COR 3449 is C27H29N3O2.
What is the molecular weight of COR 3449?
The molecular weight of COR 3449 is 427.23 g/mol.
Where can I buy COR 3449?
You can request a quote for COR 3449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COR 3449?
Yes, KEHONG BIO provides custom synthesis services for COR 3449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.