RefChem:283483
TL;DR: RefChem:283483 (CAS 85418-58-2) is a chemical compound with molecular formula C27H36Cl2N2O3 and molecular weight 506.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-[[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]methyl]-1,2,3,9b-tetrahydrodibenzofuran-4-one;dihydrochloride
Also Known As: 1(3H)-Isobenzofuranone,3-[(methylsulfonyl)oxy], 4(1H)-Dibenzofuranone, 2,3,4a,9b-tetrahydro-4a-((4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)methyl)-, hydrochloride, hydrate (1:2:1), 4a-((4-(2-ethoxy-2-phenylethyl)piperazin-1-yl)methyl)-2,3,4a,9b-tetrahydrodibenzo[b,d]furan-4(1H)-one dihydrochloride hydrate, 4a-[[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]methyl]-1,2,3,9b-tetrahydrodibenzofuran-4-one dihydrochloride, 4a-{[4-(2-Ethoxy-2-phenylethyl)piperazin-1-yl]methyl}-2,3,4a,9b-tetrahydrodibenzo[b,d]furan-4(1H)-one--hydrogen chloride (1/2)
| Molecular Formula | C27H36Cl2N2O3 |
|---|---|
| Molecular Weight | 506.21 g/mol |
| LogP | 4.8934 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.2103 |
| Heavy Atoms | 34 |
| Complexity | 936.48224 |
Chemical Identifiers
| CAS Number | 85418-58-2 |
|---|---|
| SMILES | CCOC(CN1CCN(CC1)CC23C(CCCC2=O)C4=CC=CC=C4O3)C5=CC=CC=C5.Cl.Cl |
Product Overview
RefChem:283483 (CAS 85418-58-2), with molecular formula C27H36Cl2N2O3 and molecular weight 506.21 g/mol. IUPAC: 4a-[[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]methyl]-1,2,3,9b-tetrahydrodibenzofuran-4-one;dihydrochloride.
Chemical Property Profile of RefChem:283483
Property Insights of RefChem:283483
The XLogP value of 4.8934 indicates that RefChem:283483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, RefChem:283483 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283483 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:283483?
The CAS number of RefChem:283483 is 85418-58-2.
What is the molecular formula of RefChem:283483?
The molecular formula of RefChem:283483 is C27H36Cl2N2O3.
What is the molecular weight of RefChem:283483?
The molecular weight of RefChem:283483 is 506.21 g/mol.
Where can I buy RefChem:283483?
You can request a quote for RefChem:283483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283483?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.