RefChem:328555
TL;DR: RefChem:328555 (CAS 72050-79-4) is a chemical compound with molecular formula C23H31NO7 and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-hydroxybutylamino)-1-(4-hydroxyphenyl)propyl] 3,4,5-trimethoxybenzoate
Also Known As: 4-Hydroxy-alpha-(1-(N-(4-hydroxybutyl)amino)ethyl)benzyl alcohol 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 4-(beta,4-dihydroxy-alpha-methylphenethylamino)butyl ester, [2-(4-hydroxybutylamino)-1-(4-hydroxyphenyl)propyl] 3,4,5-trimethoxybenzoate, Benzyl alcohol, 4-hydroxy-alpha-(1-(N-(4-hydroxybutyl)amino)ethyl)-, 3,4,5-trimethoxybenzoate (ester), 2-[(4-Hydroxybutyl)amino]-1-(4-hydroxyphenyl)propyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C23H31NO7 |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 433.21005 |
| Heavy Atoms | 31 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 72050-79-4 |
|---|---|
| SMILES | CC(C(C1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NCCCCO |
| InChIKey | ADMLIHRZBCNHNR-UHFFFAOYSA-N |
Product Overview
RefChem:328555 (CAS 72050-79-4), with molecular formula C23H31NO7 and molecular weight 433.21 g/mol. IUPAC: [2-(4-hydroxybutylamino)-1-(4-hydroxyphenyl)propyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:328555
Property Insights of RefChem:328555
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328555. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328555. Following Lipinski's Rule of Five, RefChem:328555 has 3 hydrogen bond donor(s) and 8 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:328555?
The CAS number of RefChem:328555 is 72050-79-4.
What is the molecular formula of RefChem:328555?
The molecular formula of RefChem:328555 is C23H31NO7.
What is the molecular weight of RefChem:328555?
The molecular weight of RefChem:328555 is 433.21 g/mol.
Where can I buy RefChem:328555?
You can request a quote for RefChem:328555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328555?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.