RefChem:1083111
TL;DR: RefChem:1083111 (CAS 102504-41-6) is a chemical compound with molecular formula C13H20ClN3O and molecular weight 269.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium chloride
Also Known As: delta(sup 4)-1,2,4-Oxadiazoline, 5-((isopropylmethylamino)methyl)-3-phenyl-, hydrochloride, methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium;chloride, 5-((Isopropylmethylamino)methyl)-3-phenyl-delta(sup 4)-1,2,4-oxadiazole hydrochloride, 1,2,4-Oxadiazole-5-methanamine,2,3-dihydro-N-methyl-N-(1-methylethyl)-3-phenyl-, hydrochloride (1:1), methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium chloride
Technical Specifications
| Molecular Formula | C13H20ClN3O |
| Molecular Weight | 269.1295 g/mol |
| XLogP | -2.29 |
| Topological Polar Surface Area (TPSA) | 28.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1295 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CC(C)[NH+](C)CC1=CN(NO1)C2=CC=CC=C2.[Cl-] |
| InChIKey | UYTLRTZMGDMJAO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1083111
Property Insights of RefChem:1083111
The XLogP value of -2.29 indicates that RefChem:1083111 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.9 Ų, RefChem:1083111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083111 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
What is the CAS number of RefChem:1083111?
The CAS number of RefChem:1083111 is 102504-41-6.
What is the molecular formula of RefChem:1083111?
The molecular formula of RefChem:1083111 is C13H20ClN3O.
What is the molecular weight of RefChem:1083111?
The molecular weight of RefChem:1083111 is 269.1295 g/mol.
Where can I buy RefChem:1083111?
You can request a quote for RefChem:1083111 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1083111?
Yes, CoreyChem provides custom synthesis services for RefChem:1083111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.