CBKinase1_000633
TL;DR: CBKinase1_000633 (CAS 299406-02-3) is a chemical compound with molecular formula C14H13F3N4O4 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxy-5-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
Also Known As: CBKinase1_000633, CBKinase1_013033, BAS 00398027, AB00093020-01, BRD-K90089907-001-01-1
| Molecular Formula | C14H13F3N4O4 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 2.76582 |
| Topological Polar Surface Area | 99.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0889 |
| Heavy Atoms | 25 |
| Complexity | 816.89355 |
Chemical Identifiers
| CAS Number | 299406-02-3 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-])C(F)(F)F |
Product Overview
CBKinase1_000633 (CAS 299406-02-3), with molecular formula C14H13F3N4O4 and molecular weight 358.09 g/mol. IUPAC: N-(3-methoxy-5-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
Chemical Property Profile of CBKinase1_000633
Property Insights of CBKinase1_000633
The XLogP value of 2.76582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_000633. The TPSA of 99.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000633. Following Lipinski's Rule of Five, CBKinase1_000633 has 1 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 CBKinase1_000633?
The CAS number of CBKinase1_000633 is 299406-02-3.
What is the molecular formula of CBKinase1_000633?
The molecular formula of CBKinase1_000633 is C14H13F3N4O4.
What is the molecular weight of CBKinase1_000633?
The molecular weight of CBKinase1_000633 is 358.09 g/mol.
Where can I buy CBKinase1_000633?
You can request a quote for CBKinase1_000633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000633?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.