RefChem:1082560
TL;DR: RefChem:1082560 (CAS 69920-53-2) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
Also Known As: 6-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-2-((4-methyl-1-piperazinyl)methyl)cyclohexanol, Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-((4-methyl-1-piperazinyl)methyl)-, (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol, RefChem:1082560
| Molecular Formula | C21H30N2O3 |
|---|---|
| Molecular Weight | 358.23 g/mol |
| LogP | 2.5972 |
| Topological Polar Surface Area | 45.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.22565 |
| Heavy Atoms | 26 |
| Complexity | 681.8338 |
Chemical Identifiers
| CAS Number | 69920-53-2 |
|---|---|
| SMILES | CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1O)CN4CCN(CC4)C |
Product Overview
RefChem:1082560 (CAS 69920-53-2), with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol. IUPAC: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol.
Chemical Property Profile of RefChem:1082560
Property Insights of RefChem:1082560
The XLogP value of 2.5972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082560. With a topological polar surface area (TPSA) of 45.17 Ų, RefChem:1082560 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082560 has 1 hydrogen bond donor(s) and 5 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:1082560?
The CAS number of RefChem:1082560 is 69920-53-2.
What is the molecular formula of RefChem:1082560?
The molecular formula of RefChem:1082560 is C21H30N2O3.
What is the molecular weight of RefChem:1082560?
The molecular weight of RefChem:1082560 is 358.23 g/mol.
Where can I buy RefChem:1082560?
You can request a quote for RefChem:1082560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082560?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.