CBKinase1_009023
TL;DR: CBKinase1_009023 (CAS 489450-57-9) is a chemical compound with molecular formula C20H16ClN5O3S and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: CBKinase1_009023, CBKinase1_021423, BRD-K93966769-001-01-4, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
| Molecular Formula | C20H16ClN5O3S |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 4.97694 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.06622 |
| Heavy Atoms | 30 |
| Complexity | 1279.8318 |
Chemical Identifiers
| CAS Number | 489450-57-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)[N+](=O)[O-])Cl)C |
Product Overview
CBKinase1_009023 (CAS 489450-57-9), with molecular formula C20H16ClN5O3S and molecular weight 441.07 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_009023
Property Insights of CBKinase1_009023
The XLogP value of 4.97694 indicates that CBKinase1_009023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009023. Following Lipinski's Rule of Five, CBKinase1_009023 has 1 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 CBKinase1_009023?
The CAS number of CBKinase1_009023 is 489450-57-9.
What is the molecular formula of CBKinase1_009023?
The molecular formula of CBKinase1_009023 is C20H16ClN5O3S.
What is the molecular weight of CBKinase1_009023?
The molecular weight of CBKinase1_009023 is 441.07 g/mol.
Where can I buy CBKinase1_009023?
You can request a quote for CBKinase1_009023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009023?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.