RefChem:1052980
TL;DR: RefChem:1052980 (CAS 111380-20-2) 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);N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Also Known As: SR 957000A, 1-(3-Diethylaminopropylamino)-8-methoxy-4-methyl-5H-pyrido(4,3-b)indole dimaleate, 1,3-Propanediamine, N,N-diethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
| Molecular Formula | C28H36N4O9 |
|---|---|
| Molecular Weight | 572.25 g/mol |
| LogP | 3.60052 |
| Topological Polar Surface Area | 202.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.2482 |
| Heavy Atoms | 41 |
| Complexity | 1326.217 |
Chemical Identifiers
| CAS Number | 111380-20-2 |
|---|---|
| SMILES | CCN(CCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)OC)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052980 (CAS 111380-20-2), with molecular formula C28H36N4O9 and molecular weight 572.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine.
Chemical Property Profile of RefChem:1052980
Property Insights of RefChem:1052980
The XLogP value of 3.60052 indicates that RefChem:1052980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.38 Ų indicates high polarity, suggesting RefChem:1052980 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052980 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:1052980?
The CAS number of RefChem:1052980 is 111380-20-2.
What is the molecular formula of RefChem:1052980?
The molecular formula of RefChem:1052980 is C28H36N4O9.
What is the molecular weight of RefChem:1052980?
The molecular weight of RefChem:1052980 is 572.25 g/mol.
Where can I buy RefChem:1052980?
You can request a quote for RefChem:1052980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.