RefChem:1057702
TL;DR: RefChem:1057702 (CAS 56220-91-8) 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((Z)-but-2-enedioic acid);1,10-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-[1,4]oxazino[4,3-a]indole
Also Known As: 1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-(4-methylpiperazino))ethyl)-, dimaleate salt, (Z)-but-2-enedioic acid; 1,10-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-[1,4]oxazino[4,3-a]indole, 1H-[1,4]Oxazino[4,3-a]indole, 3,4-dihydro-1,10-dimethyl-1-[2-(4-methyl-1-piperazinyl)ethyl]-, (Z)-2-butenedioate (1:2), RefChem:1057702
| Molecular Formula | C28H37N3O9 |
|---|---|
| Molecular Weight | 559.25 g/mol |
| LogP | 2.25622 |
| 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 | 56220-91-8 |
|---|---|
| SMILES | CC1=C2N(C3=CC=CC=C13)CCOC2(CCN4CCN(CC4)C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057702 (CAS 56220-91-8), with molecular formula C28H37N3O9 and molecular weight 559.25 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1,10-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-[1,4]oxazino[4,3-a]indole.
Chemical Property Profile of RefChem:1057702
Property Insights of RefChem:1057702
The XLogP value of 2.25622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057702. The TPSA of 169.84 Ų indicates high polarity, suggesting RefChem:1057702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057702 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:1057702?
The CAS number of RefChem:1057702 is 56220-91-8.
What is the molecular formula of RefChem:1057702?
The molecular formula of RefChem:1057702 is C28H37N3O9.
What is the molecular weight of RefChem:1057702?
The molecular weight of RefChem:1057702 is 559.25 g/mol.
Where can I buy RefChem:1057702?
You can request a quote for RefChem:1057702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.