Benzonitrile, 2-(5-bromo-2-thenylidenamino)-
TL;DR: Benzonitrile, 2-(5-bromo-2-thenylidenamino)- (CAS 315670-73-6) is a chemical compound with molecular formula C12H7BrN2S and molecular weight 289.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromothiophen-2-yl)methylideneamino]benzonitrile
Also Known As: Benzonitrile, 2-(5-bromo-2-thenylidenamino)-, 2-{[(5-bromo-2-thienyl)methylene]amino}benzonitrile, 2-[(5-bromothiophen-2-yl)methylideneamino]benzonitrile, AN-329/09998046, 2-{[(5-bromothien-2-yl)methylene]amino}benzonitrile
| Molecular Formula | C12H7BrN2S |
|---|---|
| Molecular Weight | 289.95 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.95132 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 315670-73-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=CC2=CC=C(S2)Br |
| InChIKey | JKFBVDHAXVLVRZ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-(5-bromo-2-thenylidenamino)- (CAS 315670-73-6), with molecular formula C12H7BrN2S and molecular weight 289.95 g/mol. IUPAC: 2-[(5-bromothiophen-2-yl)methylideneamino]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-(5-bromo-2-thenylidenamino)-
Property Insights of Benzonitrile, 2-(5-bromo-2-thenylidenamino)-
The XLogP value of 4.0 indicates that Benzonitrile, 2-(5-bromo-2-thenylidenamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-(5-bromo-2-thenylidenamino)-. Following Lipinski's Rule of Five, Benzonitrile, 2-(5-bromo-2-thenylidenamino)- has 0 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 Benzonitrile, 2-(5-bromo-2-thenylidenamino)-?
The CAS number of Benzonitrile, 2-(5-bromo-2-thenylidenamino)- is 315670-73-6.
What is the molecular formula of Benzonitrile, 2-(5-bromo-2-thenylidenamino)-?
The molecular formula of Benzonitrile, 2-(5-bromo-2-thenylidenamino)- is C12H7BrN2S.
What is the molecular weight of Benzonitrile, 2-(5-bromo-2-thenylidenamino)-?
The molecular weight of Benzonitrile, 2-(5-bromo-2-thenylidenamino)- is 289.95 g/mol.
Where can I buy Benzonitrile, 2-(5-bromo-2-thenylidenamino)-?
You can request a quote for Benzonitrile, 2-(5-bromo-2-thenylidenamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-(5-bromo-2-thenylidenamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-(5-bromo-2-thenylidenamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.