2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile
TL;DR: 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile (CAS 338966-44-2) is a chemical compound with molecular formula C22H15N3OS and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile
Also Known As: Bionet1_003375, 2-anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile, 6K-923, 5-benzoyl-2-(phenylamino)-4-(1H-pyrrol-1-yl)thiophene-3-carbonitrile, 2-anilino-5-benzoyl-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile
| Molecular Formula | C22H15N3OS |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 5.38508 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.0936 |
| Heavy Atoms | 27 |
| Complexity | 1107.8417 |
Chemical Identifiers
| CAS Number | 338966-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC=C3)C#N)N4C=CC=C4 |
Product Overview
2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile (CAS 338966-44-2), with molecular formula C22H15N3OS and molecular weight 369.09 g/mol. IUPAC: 2-anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile
Property Insights of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile
The XLogP value of 5.38508 indicates that 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile?
The CAS number of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile is 338966-44-2.
What is the molecular formula of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile?
The molecular formula of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile is C22H15N3OS.
What is the molecular weight of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile?
The molecular weight of 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile is 369.09 g/mol.
Where can I buy 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile?
You can request a quote for 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-5-benzoyl-4-pyrrol-1-ylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.