RefChem:1058229
TL;DR: RefChem:1058229 (CAS 116893-01-7) is a chemical compound with molecular formula C27H35N3O5 and molecular weight 481.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-5-propan-2-ylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;(E)-but-2-enedioic acid
Also Known As: 3-(2-Amino-5-isopropyllphenyl)-2-(2-diethylaminoethyl)isoindolin-1-one monofumarate, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-(1-methylethyl)phenyl)-2-(2-(diethylamino)ethyl)-,(E)-2-butenedioate (1:1), 3-(2-amino-5-propan-2-ylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one; (E)-but-2-enedioic acid, RefChem:1058229
| Molecular Formula | C27H35N3O5 |
|---|---|
| Molecular Weight | 481.26 g/mol |
| LogP | 3.991 |
| Topological Polar Surface Area | 124.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.25766 |
| Heavy Atoms | 35 |
| Complexity | 1060.2365 |
Chemical Identifiers
| CAS Number | 116893-01-7 |
|---|---|
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(C)C)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058229 (CAS 116893-01-7), with molecular formula C27H35N3O5 and molecular weight 481.26 g/mol. IUPAC: 3-(2-amino-5-propan-2-ylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1058229
Property Insights of RefChem:1058229
The XLogP value of 3.991 indicates that RefChem:1058229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058229. Following Lipinski's Rule of Five, RefChem:1058229 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:1058229?
The CAS number of RefChem:1058229 is 116893-01-7.
What is the molecular formula of RefChem:1058229?
The molecular formula of RefChem:1058229 is C27H35N3O5.
What is the molecular weight of RefChem:1058229?
The molecular weight of RefChem:1058229 is 481.26 g/mol.
Where can I buy RefChem:1058229?
You can request a quote for RefChem:1058229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058229?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.