RefChem:1068083
TL;DR: RefChem:1068083 (CAS 83658-67-7) is a chemical compound with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
Also Known As: 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2), (E)-but-2-enedioic acid; N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine, RefChem:1068083
| Molecular Formula | C29H34N2O8 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 3.52252 |
| Topological Polar Surface Area | 164.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.2315 |
| Heavy Atoms | 39 |
| Complexity | 1149.0483 |
Chemical Identifiers
| CAS Number | 83658-67-7 |
|---|---|
| SMILES | CCN(CC1N=C(C2=C(C1)C=CC(=C2)C)C3=CC=CC=C3)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1068083 (CAS 83658-67-7), with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine.
Chemical Property Profile of RefChem:1068083
Property Insights of RefChem:1068083
The XLogP value of 3.52252 indicates that RefChem:1068083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.8 Ų indicates high polarity, suggesting RefChem:1068083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1068083 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1068083?
The CAS number of RefChem:1068083 is 83658-67-7.
What is the molecular formula of RefChem:1068083?
The molecular formula of RefChem:1068083 is C29H34N2O8.
What is the molecular weight of RefChem:1068083?
The molecular weight of RefChem:1068083 is 538.23 g/mol.
Where can I buy RefChem:1068083?
You can request a quote for RefChem:1068083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.