RefChem:1074687
TL;DR: RefChem:1074687 (CAS 37483-80-0) is a chemical compound with molecular formula C14H17Cl2NO and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride
Also Known As: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propynyl-, hydrochloride, (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride, 2,3,4,5-Tetrahydro-8-chloro-N-methyl-N-2-propynyl-1-benzoxepin-5-amine hydrochloride, 5-(N-Methyl-N-propargylamino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride, 8-Chloro-N-methyl-N-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
| Molecular Formula | C14H17Cl2NO |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.06873 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 37483-80-0 |
|---|---|
| SMILES | C[NH+](CC#C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-] |
| InChIKey | JNWQABFLROTXCL-UHFFFAOYSA-N |
Product Overview
RefChem:1074687 (CAS 37483-80-0), with molecular formula C14H17Cl2NO and molecular weight 285.07 g/mol. IUPAC: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride.
Chemical Property Profile of RefChem:1074687
Property Insights of RefChem:1074687
The XLogP value of -1.29 indicates that RefChem:1074687 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:1074687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074687 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
Frequently Asked Questions
What is the CAS number of RefChem:1074687?
The CAS number of RefChem:1074687 is 37483-80-0.
What is the molecular formula of RefChem:1074687?
The molecular formula of RefChem:1074687 is C14H17Cl2NO.
What is the molecular weight of RefChem:1074687?
The molecular weight of RefChem:1074687 is 285.07 g/mol.
Where can I buy RefChem:1074687?
You can request a quote for RefChem:1074687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074687?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.