![2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile structure](/static/products/3408/340809-16-7.webp)
2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
TL;DR: 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile (CAS 340809-16-7) is a chemical compound with molecular formula C13H10BrN3OS2 and molecular weight 366.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(5-bromothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
Also Known As: 2-(allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile, 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile, 2-(allylamino)-4-amino-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile, 4-amino-5-[(5-bromo-2-thiophenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile, 4-azanyl-5-(5-bromanylthiophen-2-yl)carbonyl-2-(prop-2-enylamino)thiophene-3-carbonitrile
| Molecular Formula | C13H10BrN3OS2 |
|---|---|
| Molecular Weight | 366.94 g/mol |
| LogP | 3.85488 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.9449 |
| Heavy Atoms | 20 |
| Complexity | 711.7601 |
Chemical Identifiers
| CAS Number | 340809-16-7 |
|---|---|
| SMILES | C=CCNC1=C(C(=C(S1)C(=O)C2=CC=C(S2)Br)N)C#N |
Product Overview
2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile (CAS 340809-16-7), with molecular formula C13H10BrN3OS2 and molecular weight 366.94 g/mol. IUPAC: 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile.
Chemical Property Profile of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
Property Insights of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
The XLogP value of 3.85488 indicates that 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile 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 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile has 2 hydrogen bond donor(s) and 6 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 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile?
The CAS number of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile is 340809-16-7.
What is the molecular formula of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile?
The molecular formula of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile is C13H10BrN3OS2.
What is the molecular weight of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile?
The molecular weight of 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile is 366.94 g/mol.
Where can I buy 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile?
You can request a quote for 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-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-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.