RefChem:1084581
TL;DR: RefChem:1084581 (CAS 42882-49-5) is a chemical compound with molecular formula C27H38Cl2N2O2 and molecular weight 492.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride
Also Known As: Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1), BENZYL-(3-MORPHOLIN-4-IUM-4-YLPROPYL)-[2-OXO-2-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)ETHYL]AZANIUM DICHLORIDE, ETHANONE, 2-((3-(4-MORPHOLINYL)PROPYL)(PHENYLMETHYL)AMINO)-1-(6,7,8,9-TETRAHYDRO, benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride, RefChem:1084581
| Molecular Formula | C27H38Cl2N2O2 |
|---|---|
| Molecular Weight | 492.23 g/mol |
| LogP | -4.46 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.23105 |
| Heavy Atoms | 33 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 42882-49-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)C(=O)C[NH+](CCC[NH+]3CCOCC3)CC4=CC=CC=C4.[Cl-].[Cl-] |
| InChIKey | SKAIDNLQXHJERU-UHFFFAOYSA-N |
Product Overview
RefChem:1084581 (CAS 42882-49-5), with molecular formula C27H38Cl2N2O2 and molecular weight 492.23 g/mol. IUPAC: benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride.
Chemical Property Profile of RefChem:1084581
Property Insights of RefChem:1084581
The XLogP value of -4.46 indicates that RefChem:1084581 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.2 Ų, RefChem:1084581 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084581 has 2 hydrogen bond donor(s) and 4 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:1084581?
The CAS number of RefChem:1084581 is 42882-49-5.
What is the molecular formula of RefChem:1084581?
The molecular formula of RefChem:1084581 is C27H38Cl2N2O2.
What is the molecular weight of RefChem:1084581?
The molecular weight of RefChem:1084581 is 492.23 g/mol.
Where can I buy RefChem:1084581?
You can request a quote for RefChem:1084581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084581?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.