3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one
TL;DR: 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one (CAS 59690-97-0) is a chemical compound with molecular formula C13H12BrNOS and molecular weight 308.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromoanilino)-1-thiophen-2-ylpropan-1-one
Also Known As: BIM-0048526.P001, 3-(3-bromoanilino)-1-thiophen-2-ylpropan-1-one, 3-[(3-bromophenyl)amino]-1-(2-thienyl)-1-propanone, 3-(3-Bromoanilino)-1-(thiophen-2-yl)propan-1-one, 3-[(3-bromophenyl)amino]-1-(thiophen-2-yl)propan-1-one
| Molecular Formula | C13H12BrNOS |
|---|---|
| Molecular Weight | 308.98 g/mol |
| LogP | 4.1955 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.9823 |
| Heavy Atoms | 17 |
| Complexity | 495.8804 |
Chemical Identifiers
| CAS Number | 59690-97-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)NCCC(=O)C2=CC=CS2 |
Product Overview
3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one (CAS 59690-97-0), with molecular formula C13H12BrNOS and molecular weight 308.98 g/mol. IUPAC: 3-(3-bromoanilino)-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one
Property Insights of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one
The XLogP value of 4.1955 indicates that 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one has 1 hydrogen bond donor(s) and 3 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-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one?
The CAS number of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one is 59690-97-0.
What is the molecular formula of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one?
The molecular formula of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one is C13H12BrNOS.
What is the molecular weight of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one?
The molecular weight of 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one is 308.98 g/mol.
Where can I buy 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one?
You can request a quote for 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.