RefChem:1063867
TL;DR: RefChem:1063867 (CAS 113760-37-5) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-[(2R,6S)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]acetonitrile
Also Known As: cis-(+-)-6-(1H-Indol-4-yl)-4-methyl-2-morpholineacetonitrile (E)-2-butenedioate, 2-Morpholineacetonitrile, 6-(1H-indol-4-yl)-4-methyl-, cis-(+-)-, (E)-2-butenedioate, (2SR,6RS)-6-(1H-Indol-4-yl)-4-methyl-2-morpholine acetonitrile fumarate, (E)-but-2-enedioic acid; 2-[(2R,6S)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]acetonitrile
Technical Specifications
| Molecular Formula | C19H21N3O5 |
| Molecular Weight | 371.14813 g/mol |
| XLogP | 2.16508 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.14813 Da |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
| SMILES | CN1C[C@H](O[C@H](C1)C2=C3C=CNC3=CC=C2)CC#N.C(=C/C(=O)O)\C(=O)O |
| InChIKey | NZNWXAPUMDPRSC-GAGPXRIESA-N |
Chemical Property Profile of RefChem:1063867
Property Insights of RefChem:1063867
The XLogP value of 2.16508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063867. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063867. Following Lipinski's Rule of Five, RefChem:1063867 has 3 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:1063867?
The CAS number of RefChem:1063867 is 113760-37-5.
What is the molecular formula of RefChem:1063867?
The molecular formula of RefChem:1063867 is C19H21N3O5.
What is the molecular weight of RefChem:1063867?
The molecular weight of RefChem:1063867 is 371.14813 g/mol.
Where can I buy RefChem:1063867?
You can request a quote for RefChem:1063867 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1063867?
Yes, CoreyChem provides custom synthesis services for RefChem:1063867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.