![3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile structure](/static/products/4000/400087-67-4.webp)
3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile
TL;DR: 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile (CAS 400087-67-4) is a chemical compound with molecular formula C15H12ClN3O2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-[(Z)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-1,2-oxazole-4-carbonitrile
Also Known As: 3-(2-chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile, 3-(2-chlorophenyl)-5-[(1Z)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-1,2-oxazole-4-carbonitrile, 3-(2-chlorophenyl)-5-[(Z)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-1,2-oxazole-4-carbonitrile, 3-(2-chlorophenyl)-5-[(Z)-2-(dimethylamino)-1-formyl-vinyl]isoxazole-4-carbonitrile
| Molecular Formula | C15H12ClN3O2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 2.96808 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0618 |
| Heavy Atoms | 21 |
| Complexity | 741.61725 |
Chemical Identifiers
| CAS Number | 400087-67-4 |
|---|---|
| SMILES | CN(C)/C=C(\C=O)/C1=C(C(=NO1)C2=CC=CC=C2Cl)C#N |
Product Overview
3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile (CAS 400087-67-4), with molecular formula C15H12ClN3O2 and molecular weight 301.06 g/mol. IUPAC: 3-(2-chlorophenyl)-5-[(Z)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile
Property Insights of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile
The XLogP value of 2.96808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile has 0 hydrogen bond donor(s) and 5 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-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile?
The CAS number of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile is 400087-67-4.
What is the molecular formula of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile?
The molecular formula of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile is C15H12ClN3O2.
What is the molecular weight of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile?
The molecular weight of 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile is 301.06 g/mol.
Where can I buy 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile?
You can request a quote for 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-5-[2-(dimethylamino)-1-formylvinyl]-4-isoxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.