RefChem:1065197
TL;DR: RefChem:1065197 (CAS 108132-36-1) is a chemical compound with molecular formula C21H27NO4 and molecular weight 357.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxypropanal;N-methyl-N-(2-phenylethyl)-3,4-dihydro-2H-chromen-6-amine
Also Known As: 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate, 2H-1-Benzopyran-6-methylamine, 3,4-dihydro-alpha-phenethyl-, lactate, 3,4-Dihydro-alpha-(2-phenylethyl)-2H-1-benzopyran-6-methanamine 2-hydroxypropanoate, 2,3-dihydroxypropanal; N-methyl-N-phenethyl-3,4-dihydro-2H-chromen-6-amine, 2,3-dihydroxypropanal- n-methyl-n-(2-phenylethyl)-3,4-dihydro-2h-chromen-6-amine(1:1)
Technical Specifications
| Molecular Formula | C21H27NO4 |
| Molecular Weight | 357.194 g/mol |
| XLogP | 2.23 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.194 Da |
| Heavy Atoms | 26 |
| Complexity | 330.0 |
| SMILES | CN(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3.C(C(C=O)O)O |
| InChIKey | TWQUYEFKVTWSRJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1065197
Property Insights of RefChem:1065197
The XLogP value of 2.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065197. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065197. Following Lipinski's Rule of Five, RefChem:1065197 has 2 hydrogen bond donor(s) and 5 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:1065197?
The CAS number of RefChem:1065197 is 108132-36-1.
What is the molecular formula of RefChem:1065197?
The molecular formula of RefChem:1065197 is C21H27NO4.
What is the molecular weight of RefChem:1065197?
The molecular weight of RefChem:1065197 is 357.194 g/mol.
Where can I buy RefChem:1065197?
You can request a quote for RefChem:1065197 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1065197?
Yes, CoreyChem provides custom synthesis services for RefChem:1065197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.