RefChem:1097180
TL;DR: RefChem:1097180 (CAS 42920-51-4) is a chemical compound with molecular formula C28H37N3O9 and molecular weight 559.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole
Also Known As: 1-(2-(N-Methylpiperazino)ethyl)-1,9-dimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole dimaleate, Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(N-methylpiperazino)ethyl)-, dimaleate, (E)-but-2-enedioic acid; 1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole, Pyrano[3,4-b]indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-[2-(4-methyl-1-piperazinyl)ethyl]-, (Z)-2-butenedioate (1:2), RefChem:1097180
| Molecular Formula | C28H37N3O9 |
|---|---|
| Molecular Weight | 559.25 g/mol |
| LogP | 2.0273 |
| Topological Polar Surface Area | 169.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.253 |
| Heavy Atoms | 40 |
| Complexity | 1193.1915 |
Chemical Identifiers
| CAS Number | 42920-51-4 |
|---|---|
| SMILES | CC1(OCCC2=C1N(C3=CC=CC=C23)C)CCN4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097180 (CAS 42920-51-4), with molecular formula C28H37N3O9 and molecular weight 559.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole.
Chemical Property Profile of RefChem:1097180
Property Insights of RefChem:1097180
The XLogP value of 2.0273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097180. The TPSA of 169.84 Ų indicates high polarity, suggesting RefChem:1097180 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097180 has 4 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:1097180?
The CAS number of RefChem:1097180 is 42920-51-4.
What is the molecular formula of RefChem:1097180?
The molecular formula of RefChem:1097180 is C28H37N3O9.
What is the molecular weight of RefChem:1097180?
The molecular weight of RefChem:1097180 is 559.25 g/mol.
Where can I buy RefChem:1097180?
You can request a quote for RefChem:1097180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097180?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.