![N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide structure](/static/products/4452/445245-35-2.webp)
N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
TL;DR: N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CAS 445245-35-2) is a chemical compound with molecular formula C27H18ClF2N5O3S and molecular weight 565.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C27H18ClF2N5O3S |
|---|---|
| Molecular Weight | 565.08 g/mol |
| LogP | 7.60742 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.0787 |
| Heavy Atoms | 39 |
| Complexity | 1709.9332 |
Chemical Identifiers
| CAS Number | 445245-35-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CAS 445245-35-2), with molecular formula C27H18ClF2N5O3S and molecular weight 565.08 g/mol. IUPAC: N-[3-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Property Insights of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
The XLogP value of 7.60742 indicates that N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The CAS number of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is 445245-35-2.
What is the molecular formula of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The molecular formula of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C27H18ClF2N5O3S.
What is the molecular weight of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The molecular weight of N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is 565.08 g/mol.
Where can I buy N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
You can request a quote for N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.