RefChem:1065241
TL;DR: RefChem:1065241 (CAS 42773-64-8) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-(diethylamino)ethyl]-3-methoxy-3-phenylindol-2-one
Also Known As: C21H26N2O2.C4H4O4.1/2H2O, 1,3-Dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-2H-indol-2-one maleate hemihydrate, C21-H26-N2-O2.C4-H4-O4.1/2H2-O, 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-, (Z)-2-butenedioate,hydrate (2:2:1), (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-methoxy-3-phenylindol-2-one
| Molecular Formula | C25H30N2O6 |
|---|---|
| Molecular Weight | 454.21 g/mol |
| LogP | 2.9768 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.2104 |
| Heavy Atoms | 33 |
| Complexity | 971.4015 |
Chemical Identifiers
| CAS Number | 42773-64-8 |
|---|---|
| SMILES | CCN(CC)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1065241 (CAS 42773-64-8), with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(diethylamino)ethyl]-3-methoxy-3-phenylindol-2-one.
Chemical Property Profile of RefChem:1065241
Property Insights of RefChem:1065241
The XLogP value of 2.9768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065241. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065241. Following Lipinski's Rule of Five, RefChem:1065241 has 2 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:1065241?
The CAS number of RefChem:1065241 is 42773-64-8.
What is the molecular formula of RefChem:1065241?
The molecular formula of RefChem:1065241 is C25H30N2O6.
What is the molecular weight of RefChem:1065241?
The molecular weight of RefChem:1065241 is 454.21 g/mol.
Where can I buy RefChem:1065241?
You can request a quote for RefChem:1065241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065241?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.