RefChem:1073502
TL;DR: RefChem:1073502 (CAS 113141-04-1) is a chemical compound with molecular formula C27H34N4O9 and molecular weight 558.2326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);1-[3-(diethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
Also Known As: SR 95444A, 1-(Diethylaminopropylamino)-8-hydroxy-4-methyl-5H-pyrido(4,3-b)indole dimaleate, 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(diethylamino)propyl)amino)-4-methyl-, (Z)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; 1-[3-(diethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
Technical Specifications
| Molecular Formula | C27H34N4O9 |
| Molecular Weight | 558.2326 g/mol |
| XLogP | 3.29752 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 558.2326 Da |
| Heavy Atoms | 40 |
| Complexity | 509.0 |
| SMILES | CCN(CCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)O)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | GGVGYDFTZACZNW-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1073502
Property Insights of RefChem:1073502
The XLogP value of 3.29752 indicates that RefChem:1073502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting RefChem:1073502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073502 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1073502?
The CAS number of RefChem:1073502 is 113141-04-1.
What is the molecular formula of RefChem:1073502?
The molecular formula of RefChem:1073502 is C27H34N4O9.
What is the molecular weight of RefChem:1073502?
The molecular weight of RefChem:1073502 is 558.2326 g/mol.
Where can I buy RefChem:1073502?
You can request a quote for RefChem:1073502 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1073502?
Yes, CoreyChem provides custom synthesis services for RefChem:1073502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.