(2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate
TL;DR: (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate (CAS 1164475-87-9) is a chemical compound with molecular formula C21H25N3O7 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
Also Known As: (2,3-dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate, (2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone; oxalic acid
| Molecular Formula | C21H25N3O7 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 1.2124 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.16925 |
| Heavy Atoms | 31 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 1164475-87-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O |
| InChIKey | IQBJOFYZMCCNFP-UHFFFAOYSA-N |
Product Overview
(2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate (CAS 1164475-87-9), with molecular formula C21H25N3O7 and molecular weight 431.17 g/mol. IUPAC: (2,3-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid.
Chemical Property Profile of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate
Property Insights of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate
The XLogP value of 1.2124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate. Following Lipinski's Rule of Five, (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate has 2 hydrogen bond donor(s) and 9 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 (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate?
The CAS number of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate is 1164475-87-9.
What is the molecular formula of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate?
The molecular formula of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate is C21H25N3O7.
What is the molecular weight of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate?
The molecular weight of (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate is 431.17 g/mol.
Where can I buy (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate?
You can request a quote for (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Dimethoxyphenyl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.