1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone
TL;DR: 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone (CAS 76576-60-8) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 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)ethanone
Also Known As: KST-1B8700, 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone, Ethanone, 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)-, 1-(6,7-Dimethoxy-5-propyl-2H-1,3-benzodioxol-4-yl)ethan-1-one
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 76576-60-8 |
|---|---|
| SMILES | CCCC1=C(C2=C(C(=C1OC)OC)OCO2)C(=O)C |
| InChIKey | XRKDCAXOBTYMDP-UHFFFAOYSA-N |
Product Overview
1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone (CAS 76576-60-8), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: 1-(6,7-dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone.
Chemical Property Profile of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone
Property Insights of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone has 0 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 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone?
The CAS number of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone is 76576-60-8.
What is the molecular formula of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone?
The molecular formula of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone is C14H18O5.
What is the molecular weight of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone?
The molecular weight of 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone is 266.12 g/mol.
Where can I buy 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone?
You can request a quote for 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.