RefChem:228817
TL;DR: RefChem:228817 (CAS 64246-07-7) is a chemical compound with molecular formula C30H38N2O15 and molecular weight 666.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)-4-(methylcarbamoyloxy)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate, 1-BUTANOL, 4-DIMETHYLAMINO-1,1-BIS((3,4-(METHYLENEDIOXY)PHENOXY)METHYL)-, METHYL, [5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)-4-(methylcarbamoyloxy)pentyl]-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, 5-[(2H-1,3-Benzodioxol-5-yl)oxy]-4-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-N,N-dimethyl-4-[(methylcarbamoyl)oxy]pentan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate, RefChem:228817
| Molecular Formula | C30H38N2O15 |
|---|---|
| Molecular Weight | 666.23 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 666.22723 |
| Heavy Atoms | 47 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 64246-07-7 |
|---|---|
| SMILES | CNC(=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 | DEUJMXDTFVLZKP-UHFFFAOYSA-N |
Product Overview
RefChem:228817 (CAS 64246-07-7), with molecular formula C30H38N2O15 and molecular weight 666.23 g/mol. IUPAC: [5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)-4-(methylcarbamoyloxy)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of RefChem:228817
Property Insights of RefChem:228817
The XLogP value of -0.96 indicates that RefChem:228817 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting RefChem:228817 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:228817 has 5 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:228817?
The CAS number of RefChem:228817 is 64246-07-7.
What is the molecular formula of RefChem:228817?
The molecular formula of RefChem:228817 is C30H38N2O15.
What is the molecular weight of RefChem:228817?
The molecular weight of RefChem:228817 is 666.23 g/mol.
Where can I buy RefChem:228817?
You can request a quote for RefChem:228817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.