2-methoxycyclododecanone
TL;DR: 2-methoxycyclododecanone (CAS 76335-58-5) is a chemical compound with molecular formula C27H28N2O6 and molecular weight 476.19 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;pyridine-3-carboxylic acid
Also Known As: 2-methoxycyclododecanone, [1-4-piperidyl]- methanone,pyridine-3-carboxylicacid, Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-hydroxyphenyl)-, 3-pyridinecarboxylate (1:1) (salt), [1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone; pyridine-3-carboxylic acid, [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone,pyridine-3-carboxylic acid
| Molecular Formula | C27H28N2O6 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 3.9067 |
| Topological Polar Surface Area | 109.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.19473 |
| Heavy Atoms | 35 |
| Complexity | 1127.9231 |
Chemical Identifiers
| CAS Number | 76335-58-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)O)CC3COC4=CC=CC=C4O3.C1=CC(=CN=C1)C(=O)O |
Product Overview
2-methoxycyclododecanone (CAS 76335-58-5), with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol. IUPAC: [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone;pyridine-3-carboxylic acid.
Chemical Property Profile of 2-methoxycyclododecanone
Property Insights of 2-methoxycyclododecanone
The XLogP value of 3.9067 indicates that 2-methoxycyclododecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxycyclododecanone. Following Lipinski's Rule of Five, 2-methoxycyclododecanone has 2 hydrogen bond donor(s) and 7 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 76335-58-5.
What is the molecular formula of 2-methoxycyclododecanone?
The molecular formula of 2-methoxycyclododecanone is C27H28N2O6.
What is the molecular weight of 2-methoxycyclododecanone?
The molecular weight of 2-methoxycyclododecanone is 476.19 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.