2-(3-Bromo-4-ethoxyphenyl)acetonitrile
TL;DR: 2-(3-Bromo-4-ethoxyphenyl)acetonitrile (CAS 774-79-8) is a chemical compound with molecular formula C10H10BrNO and molecular weight 238.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromo-4-ethoxyphenyl)acetonitrile
Also Known As: 2-(3-bromo-4-ethoxyphenyl)acetonitrile, Benzeneacetonitrile, 3-bromo-4-ethoxy-
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 2.91388 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.99458 |
| Heavy Atoms | 13 |
| Complexity | 330.1869 |
Chemical Identifiers
| CAS Number | 774-79-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC#N)Br |
Product Overview
2-(3-Bromo-4-ethoxyphenyl)acetonitrile (CAS 774-79-8), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 2-(3-bromo-4-ethoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile
Property Insights of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile
The XLogP value of 2.91388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Bromo-4-ethoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(3-Bromo-4-ethoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromo-4-ethoxyphenyl)acetonitrile 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 2-(3-Bromo-4-ethoxyphenyl)acetonitrile?
The CAS number of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile is 774-79-8.
What is the molecular formula of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile?
The molecular formula of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile is C10H10BrNO.
What is the molecular weight of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile?
The molecular weight of 2-(3-Bromo-4-ethoxyphenyl)acetonitrile is 238.99 g/mol.
Where can I buy 2-(3-Bromo-4-ethoxyphenyl)acetonitrile?
You can request a quote for 2-(3-Bromo-4-ethoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromo-4-ethoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-4-ethoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.