CBKinase1_001408
TL;DR: CBKinase1_001408 (CAS 425659-26-3) is a chemical compound with molecular formula C23H18FN3O2S2 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide
Also Known As: CBKinase1_001408, CBKinase1_013808, AQ-088/41469655, N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide, N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
| Molecular Formula | C23H18FN3O2S2 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 5.72692 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.08246 |
| Heavy Atoms | 31 |
| Complexity | 1255.414 |
Chemical Identifiers
| CAS Number | 425659-26-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
CBKinase1_001408 (CAS 425659-26-3), with molecular formula C23H18FN3O2S2 and molecular weight 451.08 g/mol. IUPAC: N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide.
Chemical Property Profile of CBKinase1_001408
Property Insights of CBKinase1_001408
The XLogP value of 5.72692 indicates that CBKinase1_001408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001408. Following Lipinski's Rule of Five, CBKinase1_001408 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_001408?
The CAS number of CBKinase1_001408 is 425659-26-3.
What is the molecular formula of CBKinase1_001408?
The molecular formula of CBKinase1_001408 is C23H18FN3O2S2.
What is the molecular weight of CBKinase1_001408?
The molecular weight of CBKinase1_001408 is 451.08 g/mol.
Where can I buy CBKinase1_001408?
You can request a quote for CBKinase1_001408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001408?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.