2,3-Dibromopropanenitrile
TL;DR: 2,3-Dibromopropanenitrile (CAS 4554-16-9) is a chemical compound with molecular formula C3H3Br2N and molecular weight 210.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropanenitrile
Also Known As: 2,3-Dibromopropionitrile, 2,3-Dibromopropanenitrile, 2,3-Dibromo-propionitrile, Caswell No. 287B, Propanenitrile, 2,3-dibromo-
| Molecular Formula | C3H3Br2N |
|---|---|
| Molecular Weight | 210.86 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.86118 |
| Heavy Atoms | 6 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 4554-16-9 |
|---|---|
| SMILES | C(C(C#N)Br)Br |
| InChIKey | ARRIEYYNOLTVTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dibromopropanenitrile (CAS 4554-16-9), with molecular formula C3H3Br2N and molecular weight 210.86 g/mol. IUPAC: 2,3-dibromopropanenitrile.
Chemical Property Profile of 2,3-Dibromopropanenitrile
Property Insights of 2,3-Dibromopropanenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromopropanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Dibromopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropanenitrile 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-Dibromopropanenitrile?
The CAS number of 2,3-Dibromopropanenitrile is 4554-16-9.
What is the molecular formula of 2,3-Dibromopropanenitrile?
The molecular formula of 2,3-Dibromopropanenitrile is C3H3Br2N.
What is the molecular weight of 2,3-Dibromopropanenitrile?
The molecular weight of 2,3-Dibromopropanenitrile is 210.86 g/mol.
Where can I buy 2,3-Dibromopropanenitrile?
You can request a quote for 2,3-Dibromopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.