1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
TL;DR: 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) (CAS 111380-22-4) is a chemical compound with molecular formula C26H32N4O9 and molecular weight 544.22 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'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Also Known As: 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2), 1-(3-Ethylaminopropyl)amino-8-methoxy-4-methylL-5H-pyrido(4,3-b)indole dimaleate, (E)-but-2-enedioic acid; N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
| Molecular Formula | C26H32N4O9 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 2.86822 |
| Topological Polar Surface Area | 211.17 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 544.2169 |
| Heavy Atoms | 39 |
| Complexity | 1280.1929 |
Chemical Identifiers
| CAS Number | 111380-22-4 |
|---|---|
| SMILES | CCNCCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)OC)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) (CAS 111380-22-4), with molecular formula C26H32N4O9 and molecular weight 544.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
Property Insights of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)
The XLogP value of 2.86822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2). The TPSA of 211.17 Ų indicates high polarity, suggesting 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) has 7 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 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)?
The CAS number of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) is 111380-22-4.
What is the molecular formula of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)?
The molecular formula of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) is C26H32N4O9.
What is the molecular weight of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)?
The molecular weight of 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) is 544.22 g/mol.
Where can I buy 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)?
You can request a quote for 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido(4,3-b)indol-1-yl)-, (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.