RefChem:1078424
TL;DR: RefChem:1078424 (CAS 87203-65-4) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
Also Known As: N-Methyl-2-(3,4-dimethoxyphenyl)-1-(4-tolyl)ethylamine maleate, 3,4-Dimethoxy-N-methyl-alpha-(4-methylphenyl)benzeneethanamine (Z)-2-butenedioate (1:1), Benzeneethanamine, 3,4-dimethoxy-N-methyl-alpha-(4-methylphenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine, RefChem:1078424
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.22722 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 813.69617 |
Chemical Identifiers
| CAS Number | 87203-65-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)NC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078424 (CAS 87203-65-4), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine.
Chemical Property Profile of RefChem:1078424
Property Insights of RefChem:1078424
The XLogP value of 3.22722 indicates that RefChem:1078424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078424. Following Lipinski's Rule of Five, RefChem:1078424 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:1078424?
The CAS number of RefChem:1078424 is 87203-65-4.
What is the molecular formula of RefChem:1078424?
The molecular formula of RefChem:1078424 is C22H27NO6.
What is the molecular weight of RefChem:1078424?
The molecular weight of RefChem:1078424 is 401.18 g/mol.
Where can I buy RefChem:1078424?
You can request a quote for RefChem:1078424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078424?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.