5-Bromo-2-isopropoxybenzonitrile
TL;DR: 5-Bromo-2-isopropoxybenzonitrile (CAS 515832-52-7) 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.
5-bromo-2-propan-2-yloxybenzonitrile
Also Known As: 5-bromo-2-isopropoxybenzonitrile, 5-Bromo-2-Isopropoxy-Benzonitrile, 5-bromo-2-propan-2-yloxybenzonitrile, 5-bromo-2-(propan-2-yloxy)benzonitrile, BROMOISOPROPOXYBENZONITRILE 1G
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 3.10798 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.99458 |
| Heavy Atoms | 13 |
| Complexity | 341.26825 |
Chemical Identifiers
| CAS Number | 515832-52-7 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)Br)C#N |
Product Overview
5-Bromo-2-isopropoxybenzonitrile (CAS 515832-52-7), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 5-bromo-2-propan-2-yloxybenzonitrile.
Chemical Property Profile of 5-Bromo-2-isopropoxybenzonitrile
Property Insights of 5-Bromo-2-isopropoxybenzonitrile
The XLogP value of 3.10798 indicates that 5-Bromo-2-isopropoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 5-Bromo-2-isopropoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-isopropoxybenzonitrile 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 5-Bromo-2-isopropoxybenzonitrile?
The CAS number of 5-Bromo-2-isopropoxybenzonitrile is 515832-52-7.
What is the molecular formula of 5-Bromo-2-isopropoxybenzonitrile?
The molecular formula of 5-Bromo-2-isopropoxybenzonitrile is C10H10BrNO.
What is the molecular weight of 5-Bromo-2-isopropoxybenzonitrile?
The molecular weight of 5-Bromo-2-isopropoxybenzonitrile is 238.99 g/mol.
Where can I buy 5-Bromo-2-isopropoxybenzonitrile?
You can request a quote for 5-Bromo-2-isopropoxybenzonitrile 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-isopropoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-isopropoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.