RefChem:1082603
TL;DR: RefChem:1082603 (CAS 69920-38-3) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
Also Known As: 6-(1,3-Benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methylcyclohexanone, Cyclohexanone, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-, (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methylcyclohexan-1-one, RefChem:1082603
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 3.1196 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 620.7583 |
Chemical Identifiers
| CAS Number | 69920-38-3 |
|---|---|
| SMILES | CC1(CCC/C(=C/C2=CC3=C(C=C2)OCO3)/C1=O)CN(C)C |
Product Overview
RefChem:1082603 (CAS 69920-38-3), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one.
Chemical Property Profile of RefChem:1082603
Property Insights of RefChem:1082603
The XLogP value of 3.1196 indicates that RefChem:1082603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:1082603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082603 has 0 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:1082603?
The CAS number of RefChem:1082603 is 69920-38-3.
What is the molecular formula of RefChem:1082603?
The molecular formula of RefChem:1082603 is C18H23NO3.
What is the molecular weight of RefChem:1082603?
The molecular weight of RefChem:1082603 is 301.17 g/mol.
Where can I buy RefChem:1082603?
You can request a quote for RefChem:1082603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082603?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.