RefChem:217908
TL;DR: RefChem:217908 (CAS 50836-16-3) is a chemical compound with molecular formula C29H37NO12 and molecular weight 591.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethoxy]ethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate, 2-(2-Diethylaminoethoxy)ethyl 2-phenyl-1,3-benzodioxole-2-acetate citrate, 2-Morpholinoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleate, 2-(2-diethylaminoethoxy)ethyl 2-(2-phenylbenzo[1,3]dioxol-2-yl)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-(2-diethylaminoethyloxy)ethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C29H37NO12 |
|---|---|
| Molecular Weight | 591.23 g/mol |
| LogP | 2.35 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 591.23157 |
| Heavy Atoms | 42 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 50836-16-3 |
|---|---|
| SMILES | CCN(CC)CCOCCOC(=O)CC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LOQOEYDWULYNNG-UHFFFAOYSA-N |
Product Overview
RefChem:217908 (CAS 50836-16-3), with molecular formula C29H37NO12 and molecular weight 591.23 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:217908
Property Insights of RefChem:217908
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:217908. The TPSA of 189.0 Ų indicates high polarity, suggesting RefChem:217908 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217908 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:217908?
The CAS number of RefChem:217908 is 50836-16-3.
What is the molecular formula of RefChem:217908?
The molecular formula of RefChem:217908 is C29H37NO12.
What is the molecular weight of RefChem:217908?
The molecular weight of RefChem:217908 is 591.23 g/mol.
Where can I buy RefChem:217908?
You can request a quote for RefChem:217908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.