(Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one
TL;DR: (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one (CAS 6641-82-3) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one
Also Known As: AI3-20892, 1-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one, (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one, 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.1586 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 483.05762 |
Chemical Identifiers
| CAS Number | 6641-82-3 |
|---|---|
| SMILES | CC(C)(CC(=O)/C=C\C1=CC2=C(C=C1)OCO2)O |
Product Overview
(Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one (CAS 6641-82-3), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one.
Chemical Property Profile of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one
Property Insights of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one
The XLogP value of 2.1586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one. With a topological polar surface area (TPSA) of 55.76 Ų, (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one has 1 hydrogen bond donor(s) and 4 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 (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one?
The CAS number of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one is 6641-82-3.
What is the molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one?
The molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one is C14H16O4.
What is the molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one?
The molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one is 248.10 g/mol.
Where can I buy (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one?
You can request a quote for (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylhex-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.