RefChem:1052978
TL;DR: RefChem:1052978 (CAS 111380-12-2) is a chemical compound with molecular formula C27H34N4O8 and molecular weight 542.24 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-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Also Known As: SR 95400A, 1,3-Propanediamine, N,N-diethyl-N'-(4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2), 1-(3-Diethylaminopropylamino)-4-methyl-5H-pyrido(4,3-b)indole dimaleate, (E)-but-2-enedioic acid; N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
| Molecular Formula | C27H34N4O8 |
|---|---|
| Molecular Weight | 542.24 g/mol |
| LogP | 3.59192 |
| Topological Polar Surface Area | 193.15 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 542.2377 |
| Heavy Atoms | 39 |
| Complexity | 1260.0658 |
Chemical Identifiers
| CAS Number | 111380-12-2 |
|---|---|
| SMILES | CCN(CCCNC1=NC=C(C2=C1C3=CC=CC=C3N2)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052978 (CAS 111380-12-2), with molecular formula C27H34N4O8 and molecular weight 542.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine.
Chemical Property Profile of RefChem:1052978
Property Insights of RefChem:1052978
The XLogP value of 3.59192 indicates that RefChem:1052978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.15 Ų indicates high polarity, suggesting RefChem:1052978 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052978 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052978?
The CAS number of RefChem:1052978 is 111380-12-2.
What is the molecular formula of RefChem:1052978?
The molecular formula of RefChem:1052978 is C27H34N4O8.
What is the molecular weight of RefChem:1052978?
The molecular weight of RefChem:1052978 is 542.24 g/mol.
Where can I buy RefChem:1052978?
You can request a quote for RefChem:1052978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052978?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.