Bromocyanoacetylene
TL;DR: Bromocyanoacetylene (CAS 3114-46-3) is a chemical compound with molecular formula C3BrN and molecular weight 128.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromoprop-2-ynenitrile
Also Known As: Bromocyanoacetylene, BrC.equiv.CCN, 3-bromoprop-2-ynenitrile, Propiolonitrile, bromo-, 3-Bromo-2-propynenitrile
| Molecular Formula | C3BrN |
|---|---|
| Molecular Weight | 128.92 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.92142 |
| Heavy Atoms | 5 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 3114-46-3 |
|---|---|
| SMILES | C(#CBr)C#N |
| InChIKey | NGGPAYDRGCXCBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromocyanoacetylene (CAS 3114-46-3), with molecular formula C3BrN and molecular weight 128.92 g/mol. IUPAC: 3-bromoprop-2-ynenitrile.
Chemical Property Profile of Bromocyanoacetylene
Property Insights of Bromocyanoacetylene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromocyanoacetylene. With a topological polar surface area (TPSA) of 23.8 Ų, Bromocyanoacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromocyanoacetylene has 0 hydrogen bond donor(s) and 1 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 Bromocyanoacetylene?
The CAS number of Bromocyanoacetylene is 3114-46-3.
What is the molecular formula of Bromocyanoacetylene?
The molecular formula of Bromocyanoacetylene is C3BrN.
What is the molecular weight of Bromocyanoacetylene?
The molecular weight of Bromocyanoacetylene is 128.92 g/mol.
Where can I buy Bromocyanoacetylene?
You can request a quote for Bromocyanoacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocyanoacetylene?
Yes, KEHONG BIO provides custom synthesis services for Bromocyanoacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.