9X-5004
TL;DR: 9X-5004 (CAS 956183-99-6) is a chemical compound with molecular formula C16H17ClF3N3O and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 9X-5004, 1-tert-butyl-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 1-tert-butyl-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide, 1-(tert-butyl)-N-(3-chlorobenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-[(3-chlorophenyl)methyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C16H17ClF3N3O |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 4.2403 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.10123 |
| Heavy Atoms | 24 |
| Complexity | 747.7564 |
Chemical Identifiers
| CAS Number | 956183-99-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C=N1)C(=O)NCC2=CC(=CC=C2)Cl)C(F)(F)F |
Product Overview
9X-5004 (CAS 956183-99-6), with molecular formula C16H17ClF3N3O and molecular weight 359.10 g/mol. IUPAC: 1-tert-butyl-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 9X-5004
Property Insights of 9X-5004
The XLogP value of 4.2403 indicates that 9X-5004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 9X-5004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9X-5004 has 1 hydrogen bond donor(s) and 2 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 9X-5004?
The CAS number of 9X-5004 is 956183-99-6.
What is the molecular formula of 9X-5004?
The molecular formula of 9X-5004 is C16H17ClF3N3O.
What is the molecular weight of 9X-5004?
The molecular weight of 9X-5004 is 359.10 g/mol.
Where can I buy 9X-5004?
You can request a quote for 9X-5004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-5004?
Yes, KEHONG BIO provides custom synthesis services for 9X-5004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.