RefChem:1084598
TL;DR: RefChem:1084598 (CAS 42882-44-0) is a chemical compound with molecular formula C21H26ClNO and molecular weight 343.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride
Also Known As: Ethanone, 2-(methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, 2-(Methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethanone HCl, BENZYL-METHYL-[2-OXO-2-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)ETHYL]AZANIUM CHLORIDE, benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride, ETHANONE, 2-(METHYL(PHENYLMETHYL)AMINO)-1-(6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTE
| Molecular Formula | C21H26ClNO |
|---|---|
| Molecular Weight | 343.17 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1703 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 42882-44-0 |
|---|---|
| SMILES | C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2.[Cl-] |
| InChIKey | YWTPPBCTRBFSHK-UHFFFAOYSA-N |
Product Overview
RefChem:1084598 (CAS 42882-44-0), with molecular formula C21H26ClNO and molecular weight 343.17 g/mol. IUPAC: benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1084598
Property Insights of RefChem:1084598
The XLogP value of -0.14 indicates that RefChem:1084598 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:1084598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084598 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:1084598?
The CAS number of RefChem:1084598 is 42882-44-0.
What is the molecular formula of RefChem:1084598?
The molecular formula of RefChem:1084598 is C21H26ClNO.
What is the molecular weight of RefChem:1084598?
The molecular weight of RefChem:1084598 is 343.17 g/mol.
Where can I buy RefChem:1084598?
You can request a quote for RefChem:1084598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084598?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.