2-methoxycyclododecanone
TL;DR: 2-methoxycyclododecanone (CAS 76335-57-4) is a chemical compound with molecular formula C21H23NO4 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
Also Known As: 2-methoxycyclododecanone, 1-((2,3-Dihydro-4H-1,4-benzodioxin)-2-ylmethyl)-4-(4-hydroxybenzoyl)piperidine, (1-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-hydroxyphenyl)methanone, Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-hydroxyphenyl)-, [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 3.1269 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 765.83545 |
Chemical Identifiers
| CAS Number | 76335-57-4 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)O)CC3COC4=CC=CC=C4O3 |
Product Overview
2-methoxycyclododecanone (CAS 76335-57-4), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone.
Chemical Property Profile of 2-methoxycyclododecanone
Property Insights of 2-methoxycyclododecanone
The XLogP value of 3.1269 indicates that 2-methoxycyclododecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-methoxycyclododecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methoxycyclododecanone 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 2-methoxycyclododecanone?
The CAS number of 2-methoxycyclododecanone is 76335-57-4.
What is the molecular formula of 2-methoxycyclododecanone?
The molecular formula of 2-methoxycyclododecanone is C21H23NO4.
What is the molecular weight of 2-methoxycyclododecanone?
The molecular weight of 2-methoxycyclododecanone is 353.16 g/mol.
Where can I buy 2-methoxycyclododecanone?
You can request a quote for 2-methoxycyclododecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxycyclododecanone?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxycyclododecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.