COR 3453
TL;DR: COR 3453 (CAS 90494-49-8) is a chemical compound with molecular formula C27H29N3O3 and molecular weight 443.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one
Also Known As: COR 3453, 3-((2-(2-(4-(4-Methoxyphenyl)-1-piperazinyl)ethyl)phenyl)amino)-1(3H)-isobenzofuranone, ((p-Methoxyphenyl-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone, ((p-Methoxyphenyl-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone [French], 1(3H)-Isobenzofuranone, 3-((2-(2-(4-(4-methoxyphenyl)-1-piperazinyl)ethyl)phenyl)amino)-
| Molecular Formula | C27H29N3O3 |
|---|---|
| Molecular Weight | 443.22 g/mol |
| LogP | 4.341 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.2209 |
| Heavy Atoms | 33 |
| Complexity | 1107.6042 |
Chemical Identifiers
| CAS Number | 90494-49-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4 |
Product Overview
COR 3453 (CAS 90494-49-8), with molecular formula C27H29N3O3 and molecular weight 443.22 g/mol. IUPAC: 3-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one.
Chemical Property Profile of COR 3453
Property Insights of COR 3453
The XLogP value of 4.341 indicates that COR 3453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, COR 3453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, COR 3453 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 COR 3453?
The CAS number of COR 3453 is 90494-49-8.
What is the molecular formula of COR 3453?
The molecular formula of COR 3453 is C27H29N3O3.
What is the molecular weight of COR 3453?
The molecular weight of COR 3453 is 443.22 g/mol.
Where can I buy COR 3453?
You can request a quote for COR 3453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COR 3453?
Yes, KEHONG BIO provides custom synthesis services for COR 3453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.