BRN 0574724
TL;DR: BRN 0574724 (CAS 53335-20-9) is a chemical compound with molecular formula C21H34N2O5 and molecular weight 394.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: 5-23-02-00133 (Beilstein Handbook Reference), p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, methyl ester, Phosphonic acid,(2-phenyl-1(2H)-pyridinyl)-,diethyl ester, methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate, Methyl 2-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy}-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C21H34N2O5 |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 394.24677 |
| Heavy Atoms | 28 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 53335-20-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC |
| InChIKey | ACFSLNOJYWCHEO-UHFFFAOYSA-N |
Product Overview
BRN 0574724 (CAS 53335-20-9), with molecular formula C21H34N2O5 and molecular weight 394.25 g/mol. IUPAC: methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of BRN 0574724
Property Insights of BRN 0574724
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0574724. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0574724. Following Lipinski's Rule of Five, BRN 0574724 has 2 hydrogen bond donor(s) and 7 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 BRN 0574724?
The CAS number of BRN 0574724 is 53335-20-9.
What is the molecular formula of BRN 0574724?
The molecular formula of BRN 0574724 is C21H34N2O5.
What is the molecular weight of BRN 0574724?
The molecular weight of BRN 0574724 is 394.25 g/mol.
Where can I buy BRN 0574724?
You can request a quote for BRN 0574724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0574724?
Yes, KEHONG BIO provides custom synthesis services for BRN 0574724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.