3-(Phenylamino)-1-(2-thienyl)-1-propanone
TL;DR: 3-(Phenylamino)-1-(2-thienyl)-1-propanone (CAS 21280-44-4) is a chemical compound with molecular formula C13H13NOS and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-1-thiophen-2-ylpropan-1-one
Also Known As: Maybridge3_004230, 3-anilino-1-thiophen-2-ylpropan-1-one, IDI1_015617, 3-(Phenylamino)-1-(2-thienyl)-1-propanone, 3-Anilino-1-(thiophen-2-yl)propan-1-one
| Molecular Formula | C13H13NOS |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | 3.433 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.0718 |
| Heavy Atoms | 16 |
| Complexity | 436.22086 |
Chemical Identifiers
| CAS Number | 21280-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC(=O)C2=CC=CS2 |
Product Overview
3-(Phenylamino)-1-(2-thienyl)-1-propanone (CAS 21280-44-4), with molecular formula C13H13NOS and molecular weight 231.07 g/mol. IUPAC: 3-anilino-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-(Phenylamino)-1-(2-thienyl)-1-propanone
Property Insights of 3-(Phenylamino)-1-(2-thienyl)-1-propanone
The XLogP value of 3.433 indicates that 3-(Phenylamino)-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-(Phenylamino)-1-(2-thienyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylamino)-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-(Phenylamino)-1-(2-thienyl)-1-propanone?
The CAS number of 3-(Phenylamino)-1-(2-thienyl)-1-propanone is 21280-44-4.
What is the molecular formula of 3-(Phenylamino)-1-(2-thienyl)-1-propanone?
The molecular formula of 3-(Phenylamino)-1-(2-thienyl)-1-propanone is C13H13NOS.
What is the molecular weight of 3-(Phenylamino)-1-(2-thienyl)-1-propanone?
The molecular weight of 3-(Phenylamino)-1-(2-thienyl)-1-propanone is 231.07 g/mol.
Where can I buy 3-(Phenylamino)-1-(2-thienyl)-1-propanone?
You can request a quote for 3-(Phenylamino)-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-(Phenylamino)-1-(2-thienyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylamino)-1-(2-thienyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.