RefChem:367647
TL;DR: RefChem:367647 (CAS 53206-85-2) is a chemical compound with molecular formula C20H32N2O4 and molecular weight 364.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: 5-23-02-00110 (Beilstein Handbook Reference), Methyl 3-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)-p-cymene-2-carboxylate, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)-, methyl ester, Benzene,2-methoxy-1,3-dimethyl-5-(2-nitro-1-propenyl), 3-[2-Hydroxy-3- propoxy]-p-cymene-2-carboxylicacidmethylester
| Molecular Formula | C20H32N2O4 |
|---|---|
| Molecular Weight | 364.24 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.2362 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 53206-85-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)C)O)C(=O)OC |
| InChIKey | XILVKGHOXYREOY-UHFFFAOYSA-N |
Product Overview
RefChem:367647 (CAS 53206-85-2), with molecular formula C20H32N2O4 and molecular weight 364.24 g/mol. IUPAC: methyl 2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367647
Property Insights of RefChem:367647
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367647. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367647. Following Lipinski's Rule of Five, RefChem:367647 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 RefChem:367647?
The CAS number of RefChem:367647 is 53206-85-2.
What is the molecular formula of RefChem:367647?
The molecular formula of RefChem:367647 is C20H32N2O4.
What is the molecular weight of RefChem:367647?
The molecular weight of RefChem:367647 is 364.24 g/mol.
Where can I buy RefChem:367647?
You can request a quote for RefChem:367647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367647?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.