CBKinase1_012371
TL;DR: CBKinase1_012371 (CAS 690249-51-5) is a chemical compound with molecular formula C26H24F2N4O4S2 and molecular weight 558.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(difluoromethylsulfonyl)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide
Also Known As: CBKinase1_012371, CBKinase1_024771, F1743-0028, BRD-K51515265-001-01-8, N-(3-difluoromethanesulfonylphenyl)-4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazine-1-carbothioamide
| Molecular Formula | C26H24F2N4O4S2 |
|---|---|
| Molecular Weight | 558.12 g/mol |
| LogP | 3.4467 |
| Topological Polar Surface Area | 90.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.1207 |
| Heavy Atoms | 38 |
| Complexity | 1488.4951 |
Chemical Identifiers
| CAS Number | 690249-51-5 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC(=CC=C5)S(=O)(=O)C(F)F |
Product Overview
CBKinase1_012371 (CAS 690249-51-5), with molecular formula C26H24F2N4O4S2 and molecular weight 558.12 g/mol. IUPAC: N-[3-(difluoromethylsulfonyl)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of CBKinase1_012371
Property Insights of CBKinase1_012371
The XLogP value of 3.4467 indicates that CBKinase1_012371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.03 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012371. Following Lipinski's Rule of Five, CBKinase1_012371 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_012371?
The CAS number of CBKinase1_012371 is 690249-51-5.
What is the molecular formula of CBKinase1_012371?
The molecular formula of CBKinase1_012371 is C26H24F2N4O4S2.
What is the molecular weight of CBKinase1_012371?
The molecular weight of CBKinase1_012371 is 558.12 g/mol.
Where can I buy CBKinase1_012371?
You can request a quote for CBKinase1_012371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012371?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.