![3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile structure](/static/products/956/956199-40-9.png)
3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile
TL;DR: 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile (CAS 956199-40-9) is a chemical compound with molecular formula C15H13F2N3O3 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formylpyrazol-1-yl]propanenitrile
Also Known As: 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile, 3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formylpyrazol-1-yl]propanenitrile, 3-(3-[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]-4-FORMYL-1H-PYRAZOL-1-YL)PROPANENITRILE
| Molecular Formula | C15H13F2N3O3 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.88628 |
| Topological Polar Surface Area | 77.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.0925 |
| Heavy Atoms | 23 |
| Complexity | 738.0537 |
Chemical Identifiers
| CAS Number | 956199-40-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NN(C=C2C=O)CCC#N)OC(F)F |
Product Overview
3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile (CAS 956199-40-9), with molecular formula C15H13F2N3O3 and molecular weight 321.09 g/mol. IUPAC: 3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formylpyrazol-1-yl]propanenitrile.
Chemical Property Profile of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile
Property Insights of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile
The XLogP value of 2.88628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile. The TPSA of 77.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile. Following Lipinski's Rule of Five, 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile 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-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile?
The CAS number of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile is 956199-40-9.
What is the molecular formula of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile?
The molecular formula of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile is C15H13F2N3O3.
What is the molecular weight of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile?
The molecular weight of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile is 321.09 g/mol.
Where can I buy 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile?
You can request a quote for 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.