RefChem:1064529
TL;DR: RefChem:1064529 (CAS 70882-58-5) is a chemical compound with molecular formula C17H20N2O6 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate;oxalic acid
Also Known As: (E)-3-(1H-Indol-3-yl)-2-propenoic acid 2-(dimethylamino)ethyl ester ethanedioate (1:1), beta-Dimethylaminoethyl trans-beta-(3-indolyl)acrylate oxalate, 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-(dimethylamino)ethyl ester, (E)-, ethanedioate (1:1), 2-dimethylaminoethyl (E)-3-(1H-indol-3-yl)prop-2-enoate; oxalic acid, RefChem:1064529
| Molecular Formula | C17H20N2O6 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 1.4415 |
| Topological Polar Surface Area | 119.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.13214 |
| Heavy Atoms | 25 |
| Complexity | 751.33875 |
Chemical Identifiers
| CAS Number | 70882-58-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)/C=C/C1=CNC2=CC=CC=C21.C(=O)(C(=O)O)O |
Product Overview
RefChem:1064529 (CAS 70882-58-5), with molecular formula C17H20N2O6 and molecular weight 348.13 g/mol. IUPAC: 2-(dimethylamino)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate;oxalic acid.
Chemical Property Profile of RefChem:1064529
Property Insights of RefChem:1064529
The XLogP value of 1.4415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064529. The TPSA of 119.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064529. Following Lipinski's Rule of Five, RefChem:1064529 has 3 hydrogen bond donor(s) and 5 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:1064529?
The CAS number of RefChem:1064529 is 70882-58-5.
What is the molecular formula of RefChem:1064529?
The molecular formula of RefChem:1064529 is C17H20N2O6.
What is the molecular weight of RefChem:1064529?
The molecular weight of RefChem:1064529 is 348.13 g/mol.
Where can I buy RefChem:1064529?
You can request a quote for RefChem:1064529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.