RefChem:1054933
TL;DR: RefChem:1054933 (CAS 37483-78-6) is a chemical compound with molecular formula C14H19Cl2NO and molecular weight 287.08438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-enylazanium chloride
Also Known As: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propenyl-, hydrochloride, (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-enylazanium chloride, 2,3,4,5-Tetrahydro-8-chloro-N-methyl-N-2-propenyl-1-benzoxepin-5-amine hydrochloride, 5-(N-Methyl-N-allylamino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
Technical Specifications
| Molecular Formula | C14H19Cl2NO |
| Molecular Weight | 287.08438 g/mol |
| XLogP | -0.74 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.08438 Da |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
| SMILES | C[NH+](CC=C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-] |
| InChIKey | PESJDAHPOBHVED-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1054933
Property Insights of RefChem:1054933
The XLogP value of -0.74 indicates that RefChem:1054933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:1054933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054933 has 1 hydrogen bond donor(s) and 2 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:1054933?
The CAS number of RefChem:1054933 is 37483-78-6.
What is the molecular formula of RefChem:1054933?
The molecular formula of RefChem:1054933 is C14H19Cl2NO.
What is the molecular weight of RefChem:1054933?
The molecular weight of RefChem:1054933 is 287.08438 g/mol.
Where can I buy RefChem:1054933?
You can request a quote for RefChem:1054933 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054933?
Yes, CoreyChem provides custom synthesis services for RefChem:1054933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.