RefChem:1097183
TL;DR: RefChem:1097183 (CAS 57791-11-4) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine
Also Known As: 1-(2-Dimethylaminoethyl)-1,5,9-trimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole maleate, Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-1,5,9-trimethyl-, maleate, (E)-but-2-enedioic acid; N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine, Pyrano[3,4-b]indole-1-ethanamine, 1,3,4,9-tetrahydro-N,N,1,5,9-pentamethyl-, (Z)-2-butenedioate (1:1), RefChem:1097183
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 2.93812 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 912.91583 |
Chemical Identifiers
| CAS Number | 57791-11-4 |
|---|---|
| SMILES | CC1=C2C3=C(C(OCC3)(C)CCN(C)C)N(C2=CC=C1)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097183 (CAS 57791-11-4), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine.
Chemical Property Profile of RefChem:1097183
Property Insights of RefChem:1097183
The XLogP value of 2.93812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097183. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097183. Following Lipinski's Rule of Five, RefChem:1097183 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097183?
The CAS number of RefChem:1097183 is 57791-11-4.
What is the molecular formula of RefChem:1097183?
The molecular formula of RefChem:1097183 is C22H30N2O5.
What is the molecular weight of RefChem:1097183?
The molecular weight of RefChem:1097183 is 402.22 g/mol.
Where can I buy RefChem:1097183?
You can request a quote for RefChem:1097183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097183?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.