2,3-Dibromo-3-phenylpropanenitrile
TL;DR: 2,3-Dibromo-3-phenylpropanenitrile (CAS 19521-13-2) is a chemical compound with molecular formula C9H7Br2N and molecular weight 286.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromo-3-phenylpropanenitrile
Also Known As: 2,3-dibromo-3-phenylpropanenitrile, 2,3-dibromo-3-phenyl-propanenitrile, ALPHA,BETA-DIBROMOHYDROCINNAMONITRILE
| Molecular Formula | C9H7Br2N |
|---|---|
| Molecular Weight | 286.89 g/mol |
| LogP | 3.40968 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.89453 |
| Heavy Atoms | 12 |
| Complexity | 278.33005 |
Chemical Identifiers
| CAS Number | 19521-13-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)Br)Br |
Product Overview
2,3-Dibromo-3-phenylpropanenitrile (CAS 19521-13-2), with molecular formula C9H7Br2N and molecular weight 286.89 g/mol. IUPAC: 2,3-dibromo-3-phenylpropanenitrile.
Chemical Property Profile of 2,3-Dibromo-3-phenylpropanenitrile
Property Insights of 2,3-Dibromo-3-phenylpropanenitrile
The XLogP value of 3.40968 indicates that 2,3-Dibromo-3-phenylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2,3-Dibromo-3-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromo-3-phenylpropanenitrile 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 2,3-Dibromo-3-phenylpropanenitrile?
The CAS number of 2,3-Dibromo-3-phenylpropanenitrile is 19521-13-2.
What is the molecular formula of 2,3-Dibromo-3-phenylpropanenitrile?
The molecular formula of 2,3-Dibromo-3-phenylpropanenitrile is C9H7Br2N.
What is the molecular weight of 2,3-Dibromo-3-phenylpropanenitrile?
The molecular weight of 2,3-Dibromo-3-phenylpropanenitrile is 286.89 g/mol.
Where can I buy 2,3-Dibromo-3-phenylpropanenitrile?
You can request a quote for 2,3-Dibromo-3-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-3-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-3-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.