1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-
TL;DR: 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- (CAS 127119-38-4) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one
Also Known As: 8-Propionyl-1,6-benzodioxocane, 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-, 1-(2,3,4,5-Tetrahydro-1,6-benzodioxocin-8-yl)-1-propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one, 2,3,4,5-Tetrahydro-8-propanoyl-1,6-benzodioxocin
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 127119-38-4 |
|---|---|
| SMILES | CCC(=O)C1=CC2=C(C=C1)OCCCCO2 |
| InChIKey | PBUFBIACMNGNOK-UHFFFAOYSA-N |
Product Overview
1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- (CAS 127119-38-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one.
Chemical Property Profile of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-
Property Insights of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- has 0 hydrogen bond donor(s) and 3 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-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-?
The CAS number of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- is 127119-38-4.
What is the molecular formula of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-?
The molecular formula of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- is C13H16O3.
What is the molecular weight of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-?
The molecular weight of 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- is 220.11 g/mol.
Where can I buy 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-?
You can request a quote for 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.