1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone (CAS 720667-79-8) is a chemical compound with molecular formula C16H14BrNO3 and molecular weight 347.02 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-bromoanilino)propan-1-one
Also Known As: TimTec1_003874, 1-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)propan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)amino]propan-1-one, 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-[(4-bromophenyl)amino]propan-1-one
| Molecular Formula | C16H14BrNO3 |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.01572 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 720667-79-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC=C(C=C3)Br |
| InChIKey | CXDNOLKOYOVSSH-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone (CAS 720667-79-8), with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone
The XLogP value of 4.3 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-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-(4-bromoanilino)-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-(4-bromoanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone is 720667-79-8.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone is C16H14BrNO3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone is 347.02 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-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-bromoanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.