CBKinase1_001549
TL;DR: CBKinase1_001549 (CAS 6630-60-0) is a chemical compound with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-nitrophenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: CBKinase1_001549, CBKinase1_013949, N-(4-methyl-2-nitrophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide, BRD-A32835584-001-01-0, F1199-0008
| Molecular Formula | C18H14F3N3O4S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.36362 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0657 |
| Heavy Atoms | 29 |
| Complexity | 1010.33124 |
Chemical Identifiers
| CAS Number | 6630-60-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
CBKinase1_001549 (CAS 6630-60-0), with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol. IUPAC: N-(4-methyl-2-nitrophenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of CBKinase1_001549
Property Insights of CBKinase1_001549
The XLogP value of 4.36362 indicates that CBKinase1_001549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001549. Following Lipinski's Rule of Five, CBKinase1_001549 has 2 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_001549?
The CAS number of CBKinase1_001549 is 6630-60-0.
What is the molecular formula of CBKinase1_001549?
The molecular formula of CBKinase1_001549 is C18H14F3N3O4S.
What is the molecular weight of CBKinase1_001549?
The molecular weight of CBKinase1_001549 is 425.07 g/mol.
Where can I buy CBKinase1_001549?
You can request a quote for CBKinase1_001549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001549?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.