RefChem:1073501
TL;DR: RefChem:1073501 (CAS 111491-26-0) is a chemical compound with molecular formula C28H36N4O9 and molecular weight 572.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[3-(diethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
Also Known As: SR 95646A, 1-(3-Diethylaminopropylamino)-4,5-dimethyl-8-hydroxy-5H-pyrido(4,3-b)indole dimaleate, 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(diethylamino)propyl)amino)-4,5-dimethyl-, (Z)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; 1-[3-(diethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
| Molecular Formula | C28H36N4O9 |
|---|---|
| Molecular Weight | 572.25 g/mol |
| LogP | 3.30792 |
| Topological Polar Surface Area | 202.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 572.2482 |
| Heavy Atoms | 41 |
| Complexity | 1357.192 |
Chemical Identifiers
| CAS Number | 111491-26-0 |
|---|---|
| SMILES | CCN(CCCNC1=NC=C(C2=C1C3=C(N2C)C=CC(=C3)O)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073501 (CAS 111491-26-0), with molecular formula C28H36N4O9 and molecular weight 572.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[3-(diethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol.
Chemical Property Profile of RefChem:1073501
Property Insights of RefChem:1073501
The XLogP value of 3.30792 indicates that RefChem:1073501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.52 Ų indicates high polarity, suggesting RefChem:1073501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073501 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1073501?
The CAS number of RefChem:1073501 is 111491-26-0.
What is the molecular formula of RefChem:1073501?
The molecular formula of RefChem:1073501 is C28H36N4O9.
What is the molecular weight of RefChem:1073501?
The molecular weight of RefChem:1073501 is 572.25 g/mol.
Where can I buy RefChem:1073501?
You can request a quote for RefChem:1073501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.