![3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid structure](/static/products/1006/1006442-80-3.webp)
3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
TL;DR: 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006442-80-3) is a chemical compound with molecular formula C18H16F2N4O5 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(3-amino-3-oxopropyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Also Known As: 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid, (E)-3-[1-(3-amino-3-oxopropyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]-2-cyanoprop-2-enoic acid, 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoicacid, 3-1-(2-carbamoylethyl)-3-4-(difluoromethoxy)-3-methoxyphenyl-1H-pyrazol-4-yl-2-cyanoprop-2-enoic acid
| Molecular Formula | C18H16F2N4O5 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 2.02708 |
| Topological Polar Surface Area | 140.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.1089 |
| Heavy Atoms | 29 |
| Complexity | 994.62305 |
Chemical Identifiers
| CAS Number | 1006442-80-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CCC(=O)N)OC(F)F |
Product Overview
3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid (CAS 1006442-80-3), with molecular formula C18H16F2N4O5 and molecular weight 406.11 g/mol. IUPAC: (E)-3-[1-(3-amino-3-oxopropyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
Property Insights of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid
The XLogP value of 2.02708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid. The TPSA of 140.46 Ų indicates high polarity, suggesting 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid has 2 hydrogen bond donor(s) and 6 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-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The CAS number of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 1006442-80-3.
What is the molecular formula of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular formula of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is C18H16F2N4O5.
What is the molecular weight of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
The molecular weight of 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid is 406.11 g/mol.
Where can I buy 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
You can request a quote for 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(2-carbamoylethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.