4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
TL;DR: 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile (CAS 327170-12-7) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
Also Known As: 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile, 4-amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile, 2-Allylamino-4-amino-5-(4-methyl-benzoyl)-thiophene-3-carbonitrile, 2-(allylamino)-4-amino-5-p-toluoyl-thiophene-3-carbonitrile, 2-(allylamino)-4-amino-5-(4-methylbenzoyl)thiophene-3-carbonitrile
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.3393 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 723.21576 |
Chemical Identifiers
| CAS Number | 327170-12-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N |
Product Overview
4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile (CAS 327170-12-7), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile.
Chemical Property Profile of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
Property Insights of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
The XLogP value of 3.3393 indicates that 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile has 2 hydrogen bond donor(s) and 5 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 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile?
The CAS number of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile is 327170-12-7.
What is the molecular formula of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile?
The molecular formula of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile is C16H15N3OS.
What is the molecular weight of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile?
The molecular weight of 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile is 297.09 g/mol.
Where can I buy 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile?
You can request a quote for 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(4-methylbenzoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.