2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile
TL;DR: 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile (CAS 338401-16-4) is a chemical compound with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-ylthiophene-3-carbonitrile
Also Known As: 2M-937, 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile, 2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-ylthiophene-3-carbonitrile, 5-(4-chlorobenzoyl)-2-(phenylamino)-4-(1H-pyrrol-1-yl)thiophene-3-carbonitrile
| Molecular Formula | C22H14ClN3OS |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 6.03848 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0546 |
| Heavy Atoms | 28 |
| Complexity | 1157.2247 |
Chemical Identifiers
| CAS Number | 338401-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4)C#N |
Product Overview
2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile (CAS 338401-16-4), with molecular formula C22H14ClN3OS and molecular weight 403.05 g/mol. IUPAC: 2-anilino-5-(4-chlorobenzoyl)-4-pyrrol-1-ylthiophene-3-carbonitrile.
Chemical Property Profile of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile
Property Insights of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile
The XLogP value of 6.03848 indicates that 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile 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-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile 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-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile?
The CAS number of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile is 338401-16-4.
What is the molecular formula of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile?
The molecular formula of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile is C22H14ClN3OS.
What is the molecular weight of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile?
The molecular weight of 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile is 403.05 g/mol.
Where can I buy 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile?
You can request a quote for 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile 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-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-anilino-5-(4-chlorobenzoyl)-4-(1H-pyrrol-1-yl)-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.