methanone structure](/static/products/3384/338415-90-0.webp)
[2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone
TL;DR: [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone (CAS 338415-90-0) is a chemical compound with molecular formula C17H12ClNO5 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-(4-chloro-3-nitrophenyl)methanone
Also Known As: [2-(1,3-benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone, 5-[2-(4-chloro-3-nitrobenzoyl)cyclopropyl]-2H-1,3-benzodioxole, 3N-044, [2-(1,3-benzodioxol-5-yl)cyclopropyl]-(4-chloro-3-nitrophenyl)methanone, (2-benzo[1,3]dioxol-5-ylcyclopropyl)-(4-chloro-3-nitro-phenyl)methanone
| Molecular Formula | C17H12ClNO5 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.9633 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0404 |
| Heavy Atoms | 24 |
| Complexity | 866.05457 |
Chemical Identifiers
| CAS Number | 338415-90-0 |
|---|---|
| SMILES | C1C(C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4 |
Product Overview
[2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone (CAS 338415-90-0), with molecular formula C17H12ClNO5 and molecular weight 345.04 g/mol. IUPAC: [2-(1,3-benzodioxol-5-yl)cyclopropyl]-(4-chloro-3-nitrophenyl)methanone.
Chemical Property Profile of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone
Property Insights of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone
The XLogP value of 3.9633 indicates that [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone 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 [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone?
The CAS number of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone is 338415-90-0.
What is the molecular formula of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone?
The molecular formula of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone is C17H12ClNO5.
What is the molecular weight of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone?
The molecular weight of [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone is 345.04 g/mol.
Where can I buy [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone?
You can request a quote for [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-Benzodioxol-5-yl)cyclopropyl](4-chloro-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.