1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone (CAS 892155-51-0) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(3,4-dichloroanilino)propan-1-one
Also Known As: SALOR-INT L200905-1EA, 1-(1,3-benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(3,4-dichloroanilino)propan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-[(3,4-dichlorophenyl)amino]propan-1-one, 1-benzo[1,3]dioxol-5-yl-3-[(3,4-dichlorophenyl)amino]propan-1-one
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 4.407 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 718.5323 |
Chemical Identifiers
| CAS Number | 892155-51-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone (CAS 892155-51-0), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dichloroanilino)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone
The XLogP value of 4.407 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone 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 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone is 892155-51-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone is C16H13Cl2NO3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone is 337.03 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichloroanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.