1,3-Benzenedicarbonitrile, 4-bromo-
TL;DR: 1,3-Benzenedicarbonitrile, 4-bromo- (CAS 25486-40-2) is a chemical compound with molecular formula C8H3BrN2 and molecular weight 205.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzene-1,3-dicarbonitrile
Also Known As: 4-Bromoisophthalonitrile, 4-bromobenzene-1,3-dicarbonitrile, 4-Bromo-1,3-benzenedicarbonitrile, Isophothalonitrile, 4-bromo-, 1,3-Benzenedicarbonitrile, 4-bromo-
| Molecular Formula | C8H3BrN2 |
|---|---|
| Molecular Weight | 205.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.94797 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 25486-40-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)C#N)Br |
| InChIKey | WQMGDEDMARMXQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarbonitrile, 4-bromo- (CAS 25486-40-2), with molecular formula C8H3BrN2 and molecular weight 205.95 g/mol. IUPAC: 4-bromobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-bromo-
Property Insights of 1,3-Benzenedicarbonitrile, 4-bromo-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarbonitrile, 4-bromo-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,3-Benzenedicarbonitrile, 4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-bromo- has 0 hydrogen bond donor(s) and 2 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 1,3-Benzenedicarbonitrile, 4-bromo-?
The CAS number of 1,3-Benzenedicarbonitrile, 4-bromo- is 25486-40-2.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-bromo-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-bromo- is C8H3BrN2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-bromo-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-bromo- is 205.95 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-bromo-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbonitrile, 4-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.