4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
TL;DR: 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one (CAS 59922-00-8) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Also Known As: 4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one, BAS 00444491, 4-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)butan-1-one, AB01317123-02, 1-Butanone, 4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.6595 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 389.8503 |
Chemical Identifiers
| CAS Number | 59922-00-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CCCCl |
Product Overview
4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one (CAS 59922-00-8), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: 4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one.
Chemical Property Profile of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Property Insights of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
The XLogP value of 2.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one 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 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one?
The CAS number of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one is 59922-00-8.
What is the molecular formula of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one?
The molecular formula of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one is C12H13ClO3.
What is the molecular weight of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one?
The molecular weight of 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one is 240.06 g/mol.
Where can I buy 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one?
You can request a quote for 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.