Bromomalonitrile
TL;DR: Bromomalonitrile (CAS 1885-22-9) is a chemical compound with molecular formula C3HBrN2 and molecular weight 143.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromopropanedinitrile
Also Known As: 2-bromopropanedinitrile, Bromomalonitrile, 2-Bromomalononitrile, Bromomalononitrile, Propanedinitrile, bromo-
| Molecular Formula | C3HBrN2 |
|---|---|
| Molecular Weight | 143.93 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.93231 |
| Heavy Atoms | 6 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 1885-22-9 |
|---|---|
| SMILES | C(#N)C(C#N)Br |
| InChIKey | SFRZRFWPESUWKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromomalonitrile (CAS 1885-22-9), with molecular formula C3HBrN2 and molecular weight 143.93 g/mol. IUPAC: 2-bromopropanedinitrile.
Chemical Property Profile of Bromomalonitrile
Property Insights of Bromomalonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromomalonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Bromomalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomalonitrile 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 Bromomalonitrile?
The CAS number of Bromomalonitrile is 1885-22-9.
What is the molecular formula of Bromomalonitrile?
The molecular formula of Bromomalonitrile is C3HBrN2.
What is the molecular weight of Bromomalonitrile?
The molecular weight of Bromomalonitrile is 143.93 g/mol.
Where can I buy Bromomalonitrile?
You can request a quote for Bromomalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromomalonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bromomalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.