RefChem:305359
TL;DR: RefChem:305359 (CAS 42882-78-0) is a chemical compound with molecular formula C13H20ClN and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethylazanium chloride
Also Known As: 1-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)ethylamine hydrochloride, 5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-alpha-methyl-, hydrochloride, 6,7,8,9-Tetrahydro-alpha-methyl-5H-benzocycloheptene-2-methanamine hydrochloride, 1-(6,7,8,9-Tetrahydro-5H-benzo[7]annulen-2-yl)ethylazanium chloride, 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethylazanium chloride
| Molecular Formula | C13H20ClN |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | -0.74 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.12843 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 42882-78-0 |
|---|---|
| SMILES | CC(C1=CC2=C(CCCCC2)C=C1)[NH3+].[Cl-] |
| InChIKey | MMMLOMJCSILEIW-UHFFFAOYSA-N |
Product Overview
RefChem:305359 (CAS 42882-78-0), with molecular formula C13H20ClN and molecular weight 225.13 g/mol. IUPAC: 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethylazanium chloride.
Chemical Property Profile of RefChem:305359
Property Insights of RefChem:305359
The XLogP value of -0.74 indicates that RefChem:305359 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, RefChem:305359 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305359 has 1 hydrogen bond donor(s) and 1 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:305359?
The CAS number of RefChem:305359 is 42882-78-0.
What is the molecular formula of RefChem:305359?
The molecular formula of RefChem:305359 is C13H20ClN.
What is the molecular weight of RefChem:305359?
The molecular weight of RefChem:305359 is 225.13 g/mol.
Where can I buy RefChem:305359?
You can request a quote for RefChem:305359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305359?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.