RefChem:1097179
TL;DR: RefChem:1097179 (CAS 57791-04-5) is a chemical compound with molecular formula C29H39N3O10 and molecular weight 589.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethyl]piperazin-1-yl]ethanol
Also Known As: Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(N-hydroxyethyl)piperazino)-, dimaleate, (E)-but-2-enedioic acid; 2-[4-[2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethyl]piperazin-1-yl]ethanol, 1-Piperazineethanol, 4-[2-(1,3,4,9-tetrahydro-1,9-dimethylpyrano[3,4-b]indol-1-yl)ethyl]-, (Z)-2-butenedioate (1:2) (salt), RefChem:1097179
| Molecular Formula | C29H39N3O10 |
|---|---|
| Molecular Weight | 589.26 g/mol |
| LogP | 1.3898 |
| Topological Polar Surface Area | 190.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 589.26355 |
| Heavy Atoms | 42 |
| Complexity | 1228.0558 |
Chemical Identifiers
| CAS Number | 57791-04-5 |
|---|---|
| SMILES | CC1(OCCC2=C1N(C3=CC=CC=C23)C)CCN4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097179 (CAS 57791-04-5), with molecular formula C29H39N3O10 and molecular weight 589.26 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethyl]piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1097179
Property Insights of RefChem:1097179
The XLogP value of 1.3898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097179. The TPSA of 190.07 Ų indicates high polarity, suggesting RefChem:1097179 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097179 has 5 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:1097179?
The CAS number of RefChem:1097179 is 57791-04-5.
What is the molecular formula of RefChem:1097179?
The molecular formula of RefChem:1097179 is C29H39N3O10.
What is the molecular weight of RefChem:1097179?
The molecular weight of RefChem:1097179 is 589.26 g/mol.
Where can I buy RefChem:1097179?
You can request a quote for RefChem:1097179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.