RefChem:328597
TL;DR: RefChem:328597 (CAS 72017-45-9) is a chemical compound with molecular formula C26H37NO6 and molecular weight 459.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-hydroxybutyl(propyl)amino]-1-phenylpropyl] 3,4,5-trimethoxybenzoate
Also Known As: alpha-(1-(N-Propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl))ethyl)benzyl alcohol, 2-[(4-Hydroxybutyl)(propyl)amino]-1-phenylpropyl 3,4,5-trimethoxybenzoate, Benzyl alcohol, alpha-(1-(N-(4-hydroxybutyl)-N-propylamino)ethyl)- 3,4,5-trimethoxybenzoate (ester), [2-[4-hydroxybutyl(propyl)amino]-1-phenylpropyl] 3,4,5-trimethoxybenzoate, 4-[(1-hydroxy-1-phenylpropan-2-yl)-propylamino]butan-1-ol,3,4,5-trimethoxybenzoic acid
| Molecular Formula | C26H37NO6 |
|---|---|
| Molecular Weight | 459.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 459.2621 |
| Heavy Atoms | 33 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 72017-45-9 |
|---|---|
| SMILES | CCCN(CCCCO)C(C)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | RIWWEJLQVFPIEB-UHFFFAOYSA-N |
Product Overview
RefChem:328597 (CAS 72017-45-9), with molecular formula C26H37NO6 and molecular weight 459.26 g/mol. IUPAC: [2-[4-hydroxybutyl(propyl)amino]-1-phenylpropyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:328597
Property Insights of RefChem:328597
The XLogP value of 4.6 indicates that RefChem:328597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328597. Following Lipinski's Rule of Five, RefChem:328597 has 1 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 RefChem:328597?
The CAS number of RefChem:328597 is 72017-45-9.
What is the molecular formula of RefChem:328597?
The molecular formula of RefChem:328597 is C26H37NO6.
What is the molecular weight of RefChem:328597?
The molecular weight of RefChem:328597 is 459.26 g/mol.
Where can I buy RefChem:328597?
You can request a quote for RefChem:328597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.