CBKinase1_004616
TL;DR: CBKinase1_004616 (CAS 727688-84-8) is a chemical compound with molecular formula C24H18N4OS3 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: CBKinase1_004616, CBKinase1_017016, F3394-0599, BRD-K89132020-001-01-4, N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamide
| Molecular Formula | C24H18N4OS3 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 6.1875 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.06427 |
| Heavy Atoms | 32 |
| Complexity | 1439.962 |
Chemical Identifiers
| CAS Number | 727688-84-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6S5 |
Product Overview
CBKinase1_004616 (CAS 727688-84-8), with molecular formula C24H18N4OS3 and molecular weight 474.06 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of CBKinase1_004616
Property Insights of CBKinase1_004616
The XLogP value of 6.1875 indicates that CBKinase1_004616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004616. Following Lipinski's Rule of Five, CBKinase1_004616 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004616?
The CAS number of CBKinase1_004616 is 727688-84-8.
What is the molecular formula of CBKinase1_004616?
The molecular formula of CBKinase1_004616 is C24H18N4OS3.
What is the molecular weight of CBKinase1_004616?
The molecular weight of CBKinase1_004616 is 474.06 g/mol.
Where can I buy CBKinase1_004616?
You can request a quote for CBKinase1_004616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004616?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.