![Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- structure](/static/products/1013/1013061-60-3.webp)
Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-
TL;DR: Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- (CAS 1013061-60-3) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-methoxyiminopropanenitrile
Also Known As: 2-(4-chlorophenyl)-3-(methoxyimino)propanenitrile, 2-(4-chlorophenyl)-3-methoxyiminopropanenitrile, 2-(4-chlorophenyl)-3-methoxyimino-propanenitrile, Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.57938 |
| Topological Polar Surface Area | 45.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 353.3799 |
Chemical Identifiers
| CAS Number | 1013061-60-3 |
|---|---|
| SMILES | CON=CC(C#N)C1=CC=C(C=C1)Cl |
Product Overview
Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- (CAS 1013061-60-3), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-(4-chlorophenyl)-3-methoxyiminopropanenitrile.
Chemical Property Profile of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-
Property Insights of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-
The XLogP value of 2.57938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-. With a topological polar surface area (TPSA) of 45.38 Ų, Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- 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 Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-?
The CAS number of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- is 1013061-60-3.
What is the molecular formula of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-?
The molecular formula of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- is C10H9ClN2O.
What is the molecular weight of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-?
The molecular weight of Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- is 208.04 g/mol.
Where can I buy Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-?
You can request a quote for Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 4-chloro-alpha-[(E)-(methoxyimino)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.