3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile
TL;DR: 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile (CAS 175136-65-9) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile
Also Known As: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile, Maybridge1_002847, DivK1c_001599, CDS1_000559, Benzenepropanenitrile, 2-bromo-5-methoxy-beta-oxo-
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.55408 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 395.59872 |
Chemical Identifiers
| CAS Number | 175136-65-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)Br)C(=O)CC#N |
Product Overview
3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile (CAS 175136-65-9), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile
Property Insights of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile
The XLogP value of 2.55408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile 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 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile?
The CAS number of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is 175136-65-9.
What is the molecular formula of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile?
The molecular formula of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is C10H8BrNO2.
What is the molecular weight of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile?
The molecular weight of 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is 252.97 g/mol.
Where can I buy 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile?
You can request a quote for 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.