3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
TL;DR: 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone (CAS 346445-29-2) is a chemical compound with molecular formula C16H19NOS and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propan-2-ylanilino)-1-thiophen-2-ylpropan-1-one
Also Known As: 3-(4-isopropylanilino)-1-(2-thienyl)-1-propanone, 3-((4-Isopropylphenyl)amino)-1-(thiophen-2-yl)propan-1-one, 3-(4-propan-2-ylanilino)-1-thiophen-2-ylpropan-1-one, 3-[(4-isopropylphenyl)amino]-1-(2-thienyl)-1-propanone, 3-{[4-(propan-2-yl)phenyl]amino}-1-(thiophen-2-yl)propan-1-one
| Molecular Formula | C16H19NOS |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 4.5564 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11874 |
| Heavy Atoms | 19 |
| Complexity | 514.1918 |
Chemical Identifiers
| CAS Number | 346445-29-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=CS2 |
Product Overview
3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone (CAS 346445-29-2), with molecular formula C16H19NOS and molecular weight 273.12 g/mol. IUPAC: 3-(4-propan-2-ylanilino)-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
Property Insights of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
The XLogP value of 4.5564 indicates that 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone 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-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone 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-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone?
The CAS number of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone is 346445-29-2.
What is the molecular formula of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone?
The molecular formula of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone is C16H19NOS.
What is the molecular weight of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone?
The molecular weight of 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone is 273.12 g/mol.
Where can I buy 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone?
You can request a quote for 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.