2-Methoxybenzoylacetonitrile
TL;DR: 2-Methoxybenzoylacetonitrile (CAS 35276-83-6) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-3-oxopropanenitrile
Also Known As: 2-Methoxybenzoylacetonitrile, 3-(2-methoxyphenyl)-3-oxopropanenitrile, 3-(2-Methoxyphenyl)-3-oxo-propionitrile, ChemDiv2_002837, o-methoxybenzoylacetonitrile
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.79158 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 352.18753 |
Chemical Identifiers
| CAS Number | 35276-83-6 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)CC#N |
Product Overview
2-Methoxybenzoylacetonitrile (CAS 35276-83-6), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3-(2-methoxyphenyl)-3-oxopropanenitrile.
Chemical Property Profile of 2-Methoxybenzoylacetonitrile
Property Insights of 2-Methoxybenzoylacetonitrile
The XLogP value of 1.79158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxybenzoylacetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Methoxybenzoylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxybenzoylacetonitrile 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 2-Methoxybenzoylacetonitrile?
The CAS number of 2-Methoxybenzoylacetonitrile is 35276-83-6.
What is the molecular formula of 2-Methoxybenzoylacetonitrile?
The molecular formula of 2-Methoxybenzoylacetonitrile is C10H9NO2.
What is the molecular weight of 2-Methoxybenzoylacetonitrile?
The molecular weight of 2-Methoxybenzoylacetonitrile is 175.06 g/mol.
Where can I buy 2-Methoxybenzoylacetonitrile?
You can request a quote for 2-Methoxybenzoylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxybenzoylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxybenzoylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.