5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile
TL;DR: 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile (CAS 885952-72-7) is a chemical compound with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(2-hydroxyethoxy)-3-methoxybenzonitrile
Also Known As: 5-bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile, 5-bromo-2-(2-hydroxyethoxy)-3-methoxybenzonitrile, Benzonitrile, 5-bromo-2-(2-hydroxyethoxy)-3-methoxy-
| Molecular Formula | C10H10BrNO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 1.70048 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.9844 |
| Heavy Atoms | 15 |
| Complexity | 386.98926 |
Chemical Identifiers
| CAS Number | 885952-72-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCCO)C#N)Br |
Product Overview
5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile (CAS 885952-72-7), with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol. IUPAC: 5-bromo-2-(2-hydroxyethoxy)-3-methoxybenzonitrile.
Chemical Property Profile of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile
Property Insights of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile
The XLogP value of 1.70048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile. Following Lipinski's Rule of Five, 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile has 1 hydrogen bond donor(s) and 4 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 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile?
The CAS number of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile is 885952-72-7.
What is the molecular formula of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile?
The molecular formula of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile is C10H10BrNO3.
What is the molecular weight of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile?
The molecular weight of 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile is 270.98 g/mol.
Where can I buy 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile?
You can request a quote for 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(2-hydroxyethoxy)-3-methoxy-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.