RefChem:217904
TL;DR: RefChem:217904 (CAS 51140-23-9) is a chemical compound with molecular formula C24H35NO12 and molecular weight 529.22 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-methyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate, 2-(2-Diethylaminoethoxy)ethyl 2-methyl-1,3-benzodioxole-2-acetate citrate, 2-Methyl-1,3-benzodioxole-2-acetic acid 2-(2-diethylaminoethoxy)ethyl ester, 2-(2-Diethylaminoethyloxy)ethyl2-(2-methyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid, 1,3-BENZODIOXOLE-2-ACETIC ACID, 2-METHYL-, 2-(2-DIETHYLAMINOETHOXY)ETHYL ESTER
| Molecular Formula | C24H35NO12 |
|---|---|
| Molecular Weight | 529.22 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 529.21594 |
| Heavy Atoms | 37 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 51140-23-9 |
|---|---|
| SMILES | CCN(CC)CCOCCOC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | VHVLWKPUQQRDGK-UHFFFAOYSA-N |
Product Overview
RefChem:217904 (CAS 51140-23-9), with molecular formula C24H35NO12 and molecular weight 529.22 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:217904
Property Insights of RefChem:217904
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:217904. The TPSA of 189.0 Ų indicates high polarity, suggesting RefChem:217904 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217904 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:217904?
The CAS number of RefChem:217904 is 51140-23-9.
What is the molecular formula of RefChem:217904?
The molecular formula of RefChem:217904 is C24H35NO12.
What is the molecular weight of RefChem:217904?
The molecular weight of RefChem:217904 is 529.22 g/mol.
Where can I buy RefChem:217904?
You can request a quote for RefChem:217904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217904?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.