RefChem:1082559
TL;DR: RefChem:1082559 (CAS 69920-51-0) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 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-ol
Also Known As: 6-(1,3-Benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methylcyclohexanol, Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-, (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methylcyclohexan-1-ol, RefChem:1082559
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 2.9114 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 581.69507 |
Chemical Identifiers
| CAS Number | 69920-51-0 |
|---|---|
| SMILES | CC1(CCC/C(=C/C2=CC3=C(C=C2)OCO3)/C1O)CN(C)C |
Product Overview
RefChem:1082559 (CAS 69920-51-0), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclohexan-1-ol.
Chemical Property Profile of RefChem:1082559
Property Insights of RefChem:1082559
The XLogP value of 2.9114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082559. With a topological polar surface area (TPSA) of 41.93 Ų, RefChem:1082559 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082559 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:1082559?
The CAS number of RefChem:1082559 is 69920-51-0.
What is the molecular formula of RefChem:1082559?
The molecular formula of RefChem:1082559 is C18H25NO3.
What is the molecular weight of RefChem:1082559?
The molecular weight of RefChem:1082559 is 303.18 g/mol.
Where can I buy RefChem:1082559?
You can request a quote for RefChem:1082559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.