RefChem:1063868
TL;DR: RefChem:1063868 (CAS 113783-85-0) is a chemical compound with molecular formula C18H22N2O6 and molecular weight 362.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;[(2R,6R)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]methanol
Also Known As: cis-(+-)6-(1H-Indol-4-yl)-4-methyl-2-morpholinemethanol (E)-2-butenedioate, (2RS,6RS)-6-(1H-Indol-4-yl)-4-methyl-2-morpholinemethanol fumarate, 2-Morpholinemethanol, 6-(1H-indol-4-yl)-4-methyl-, cis-(+-), (E)-2-butenedioate (salt), (E)-but-2-enedioic acid; [(2R,6R)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]methanol
Technical Specifications
| Molecular Formula | C18H22N2O6 |
| Molecular Weight | 362.1478 g/mol |
| XLogP | 1.2437 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1478 Da |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
| SMILES | CN1C[C@@H](O[C@@H](C1)C2=C3C=CNC3=CC=C2)CO.C(=C/C(=O)O)\C(=O)O |
| InChIKey | SPKCAPCGOAWUHJ-SXKQQTKDSA-N |
Chemical Property Profile of RefChem:1063868
Property Insights of RefChem:1063868
The XLogP value of 1.2437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063868. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063868. Following Lipinski's Rule of Five, RefChem:1063868 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1063868?
The CAS number of RefChem:1063868 is 113783-85-0.
What is the molecular formula of RefChem:1063868?
The molecular formula of RefChem:1063868 is C18H22N2O6.
What is the molecular weight of RefChem:1063868?
The molecular weight of RefChem:1063868 is 362.1478 g/mol.
Where can I buy RefChem:1063868?
You can request a quote for RefChem:1063868 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1063868?
Yes, CoreyChem provides custom synthesis services for RefChem:1063868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.