![3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one structure](/static/products/1631/163130-52-7.webp)
3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one
TL;DR: 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one (CAS 163130-52-7) is a chemical compound with molecular formula C16H9ClO4 and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-6-chlorochromen-2-one
Also Known As: 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one, 3-(1,3-benzodioxol-5-yl)-6-chlorochromen-2-one, 3-(1,3-benzodioxol-5-yl)-6-chloro-2H-chromen-2-one, 2h-1-benzopyran-2-one, 3-(1,3-benzodioxol-5-yl)-6-chloro
| Molecular Formula | C16H9ClO4 |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 3.8421 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.01895 |
| Heavy Atoms | 21 |
| Complexity | 913.7843 |
Chemical Identifiers
| CAS Number | 163130-52-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=CC(=C4)Cl)OC3=O |
Product Overview
3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one (CAS 163130-52-7), with molecular formula C16H9ClO4 and molecular weight 300.02 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-6-chlorochromen-2-one.
Chemical Property Profile of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one
Property Insights of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one
The XLogP value of 3.8421 indicates that 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one has 0 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 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one?
The CAS number of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one is 163130-52-7.
What is the molecular formula of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one?
The molecular formula of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one is C16H9ClO4.
What is the molecular weight of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one?
The molecular weight of 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one is 300.02 g/mol.
Where can I buy 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one?
You can request a quote for 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d][1,3]dioxol-5-yl)-6-chloro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.