1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone (CAS 892155-46-3) is a chemical compound with molecular formula C16H13ClN2O5 and molecular weight 348.05 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-(4-chloro-3-nitroanilino)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)propan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-[(4-chloro-3-nitrophenyl)amino]propan-1-one, 1-benzo[1,3]dioxol-5-yl-3-[(4-chloro-3-nitro-phenyl)amino]propan-1-one
| Molecular Formula | C16H13ClN2O5 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 3.6618 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0513 |
| Heavy Atoms | 24 |
| Complexity | 809.0499 |
Chemical Identifiers
| CAS Number | 892155-46-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone (CAS 892155-46-3), with molecular formula C16H13ClN2O5 and molecular weight 348.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone
The XLogP value of 3.6618 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone has 1 hydrogen bond donor(s) and 6 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-(4-chloro-3-nitroanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone is 892155-46-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone is C16H13ClN2O5.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone is 348.05 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-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-(4-chloro-3-nitroanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(4-chloro-3-nitroanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.