RefChem:1082561
TL;DR: RefChem:1082561 (CAS 69920-52-1) is a chemical compound with molecular formula C20H27NO4 and molecular weight 345.19 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-(morpholin-4-ylmethyl)cyclohexan-1-ol
Also Known As: 6-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)cyclohexanol, Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-, (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-(morpholin-4-ylmethyl)cyclohexan-1-ol, RefChem:1082561
| Molecular Formula | C20H27NO4 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 2.682 |
| Topological Polar Surface Area | 51.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.194 |
| Heavy Atoms | 25 |
| Complexity | 653.09625 |
Chemical Identifiers
| CAS Number | 69920-52-1 |
|---|---|
| SMILES | CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1O)CN4CCOCC4 |
Product Overview
RefChem:1082561 (CAS 69920-52-1), with molecular formula C20H27NO4 and molecular weight 345.19 g/mol. IUPAC: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-(morpholin-4-ylmethyl)cyclohexan-1-ol.
Chemical Property Profile of RefChem:1082561
Property Insights of RefChem:1082561
The XLogP value of 2.682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082561. With a topological polar surface area (TPSA) of 51.16 Ų, RefChem:1082561 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082561 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:1082561?
The CAS number of RefChem:1082561 is 69920-52-1.
What is the molecular formula of RefChem:1082561?
The molecular formula of RefChem:1082561 is C20H27NO4.
What is the molecular weight of RefChem:1082561?
The molecular weight of RefChem:1082561 is 345.19 g/mol.
Where can I buy RefChem:1082561?
You can request a quote for RefChem:1082561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082561?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.