RefChem:228816
TL;DR: RefChem:228816 (CAS 64246-05-5) is a chemical compound with molecular formula C30H37NO15 and molecular weight 651.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, acetate, citrate, 1,3-Bis-(3,4-metilendiossifenossi)-2-(3-dimetilamminopropil)-2-acetossipropano citrato, 4-Dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-1-butanol acetate citrate, [4-acetyloxy-5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, [4-acetyloxy-5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)pentyl]-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
| Molecular Formula | C30H37NO15 |
|---|---|
| Molecular Weight | 651.22 g/mol |
| LogP | -0.75 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 651.2163 |
| Heavy Atoms | 46 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 64246-05-5 |
|---|---|
| SMILES | CC(=O)OC(CCC[NH+](C)C)(COC1=CC2=C(C=C1)OCO2)COC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | QANHBESCIVASRX-UHFFFAOYSA-N |
Product Overview
RefChem:228816 (CAS 64246-05-5), with molecular formula C30H37NO15 and molecular weight 651.22 g/mol. IUPAC: [4-acetyloxy-5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of RefChem:228816
Property Insights of RefChem:228816
The XLogP value of -0.75 indicates that RefChem:228816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:228816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:228816 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228816?
The CAS number of RefChem:228816 is 64246-05-5.
What is the molecular formula of RefChem:228816?
The molecular formula of RefChem:228816 is C30H37NO15.
What is the molecular weight of RefChem:228816?
The molecular weight of RefChem:228816 is 651.22 g/mol.
Where can I buy RefChem:228816?
You can request a quote for RefChem:228816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.