RefChem:1058103
TL;DR: RefChem:1058103 (CAS 65201-36-7) is a chemical compound with molecular formula C20H20ClNO3 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-3H-inden-1-one
Also Known As: 1-Benzy-4-hydroxymethylpiperidine, 2,3-Dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-1H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-, 4-chloro-2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-, 4-chloro-2-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylene)indan-1-one
| Molecular Formula | C20H20ClNO3 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11316 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 65201-36-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC=C2CC3=C(C2=O)C=CC=C3Cl)OC |
| InChIKey | YJBDSPIDFKVJJC-UHFFFAOYSA-N |
Product Overview
RefChem:1058103 (CAS 65201-36-7), with molecular formula C20H20ClNO3 and molecular weight 357.11 g/mol. IUPAC: 4-chloro-2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-3H-inden-1-one.
Chemical Property Profile of RefChem:1058103
Property Insights of RefChem:1058103
The XLogP value of 5.0 indicates that RefChem:1058103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, RefChem:1058103 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058103 has 1 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:1058103?
The CAS number of RefChem:1058103 is 65201-36-7.
What is the molecular formula of RefChem:1058103?
The molecular formula of RefChem:1058103 is C20H20ClNO3.
What is the molecular weight of RefChem:1058103?
The molecular weight of RefChem:1058103 is 357.11 g/mol.
Where can I buy RefChem:1058103?
You can request a quote for RefChem:1058103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058103?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.