1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-
TL;DR: 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- (CAS 82652-29-7) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)nonan-1-one
Also Known As: Phenol, 4-(butoxymethyl)-2-methoxy-, 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)nonan-1-one, 1-(6,7-Dimethoxy-5-propyl-2H-1,3-benzodioxol-4-yl)nonan-1-one
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 82652-29-7 |
|---|---|
| SMILES | CCCCCCCCC(=O)C1=C(C(=C(C2=C1OCO2)OC)OC)CCC |
| InChIKey | KVXGSYFBLKWAJB-UHFFFAOYSA-N |
Product Overview
1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- (CAS 82652-29-7), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)nonan-1-one.
Chemical Property Profile of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-
Property Insights of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-
The XLogP value of 6.2 indicates that 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-?
The CAS number of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- is 82652-29-7.
What is the molecular formula of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-?
The molecular formula of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- is C21H32O5.
What is the molecular weight of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-?
The molecular weight of 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- is 364.22 g/mol.
Where can I buy 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-?
You can request a quote for 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Nonanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.