RefChem:1084580
TL;DR: RefChem:1084580 (CAS 42882-45-1) is a chemical compound with molecular formula C23H30ClNO and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-propan-2-ylazanium chloride
Also Known As: Ethanone, 2-((1-methylethyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, BENZYL-[2-OXO-2-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)ETHYL]-PROPAN-2-YLAZANIUM CHLORIDE, ETHANONE, 2-((1-METHYLETHYL)(PHENYLMETHYL)AMINO)-1-(6,7,8,9-TETRAHYDRO-5H-BENZOC, benzyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-propan-2-ylazanium chloride, RefChem:1084580
| Molecular Formula | C23H30ClNO |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.2016 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 42882-45-1 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2.[Cl-] |
| InChIKey | YTUGXIODVKTIHS-UHFFFAOYSA-N |
Product Overview
RefChem:1084580 (CAS 42882-45-1), with molecular formula C23H30ClNO and molecular weight 371.20 g/mol. IUPAC: benzyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:1084580
Property Insights of RefChem:1084580
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084580. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:1084580 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084580 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:1084580?
The CAS number of RefChem:1084580 is 42882-45-1.
What is the molecular formula of RefChem:1084580?
The molecular formula of RefChem:1084580 is C23H30ClNO.
What is the molecular weight of RefChem:1084580?
The molecular weight of RefChem:1084580 is 371.20 g/mol.
Where can I buy RefChem:1084580?
You can request a quote for RefChem:1084580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084580?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.