4-Bromo-2-propoxybenzonitrile
TL;DR: 4-Bromo-2-propoxybenzonitrile (CAS 588682-07-9) 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.
4-bromo-2-propoxybenzonitrile
Also Known As: 4-bromo-2-propoxybenzonitrile, 4-bromo-2-propoxy-benzonitrile, 4-bromo-2-propoxybenzenecarbonitrile
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 3.10958 |
| 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 | 588682-07-9 |
|---|---|
| SMILES | CCCOC1=C(C=CC(=C1)Br)C#N |
Product Overview
4-Bromo-2-propoxybenzonitrile (CAS 588682-07-9), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 4-bromo-2-propoxybenzonitrile.
Chemical Property Profile of 4-Bromo-2-propoxybenzonitrile
Property Insights of 4-Bromo-2-propoxybenzonitrile
The XLogP value of 3.10958 indicates that 4-Bromo-2-propoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-Bromo-2-propoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-propoxybenzonitrile 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 4-Bromo-2-propoxybenzonitrile?
The CAS number of 4-Bromo-2-propoxybenzonitrile is 588682-07-9.
What is the molecular formula of 4-Bromo-2-propoxybenzonitrile?
The molecular formula of 4-Bromo-2-propoxybenzonitrile is C10H10BrNO.
What is the molecular weight of 4-Bromo-2-propoxybenzonitrile?
The molecular weight of 4-Bromo-2-propoxybenzonitrile is 238.99 g/mol.
Where can I buy 4-Bromo-2-propoxybenzonitrile?
You can request a quote for 4-Bromo-2-propoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-propoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-propoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.