![4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile structure](/static/products/6020/60207-22-9.webp)
4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile
TL;DR: 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile (CAS 60207-22-9) is a chemical compound with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(bromomethyl)-1,3-dioxolan-2-yl]benzonitrile
Also Known As: 4-[2-(bromomethyl)-1,3-dioxolan-2-yl]benzonitrile, BifemelaneHCl, 4-(2-(Bromomethyl)-1,3-dioxolan-2-yl)benzonitrile, 8977AB, 4-[2-(bromomethyl)-1,3-dioxolan-2-yl]-benzonitrile
| Molecular Formula | C11H10BrNO2 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 2.15278 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.9895 |
| Heavy Atoms | 15 |
| Complexity | 376.56955 |
Chemical Identifiers
| CAS Number | 60207-22-9 |
|---|---|
| SMILES | C1COC(O1)(CBr)C2=CC=C(C=C2)C#N |
Product Overview
4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile (CAS 60207-22-9), with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol. IUPAC: 4-[2-(bromomethyl)-1,3-dioxolan-2-yl]benzonitrile.
Chemical Property Profile of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile
Property Insights of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile
The XLogP value of 2.15278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile has 0 hydrogen bond donor(s) and 3 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 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile?
The CAS number of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile is 60207-22-9.
What is the molecular formula of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile?
The molecular formula of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile is C11H10BrNO2.
What is the molecular weight of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile?
The molecular weight of 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile is 266.99 g/mol.
Where can I buy 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile?
You can request a quote for 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Bromomethyl)-1,3-dioxolan-2-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.