CBKinase1_010692
TL;DR: CBKinase1_010692 (CAS 727689-86-3) is a chemical compound with molecular formula C26H21N3O2S2 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: CBKinase1_010692, CBKinase1_023092, BRD-K35771465-001-01-6, F1142-4551, 10-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C26H21N3O2S2 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 5.70062 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1075 |
| Heavy Atoms | 33 |
| Complexity | 1595.2015 |
Chemical Identifiers
| CAS Number | 727689-86-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C6=CC=CC=C6 |
Product Overview
CBKinase1_010692 (CAS 727689-86-3), with molecular formula C26H21N3O2S2 and molecular weight 471.11 g/mol. IUPAC: 10-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of CBKinase1_010692
Property Insights of CBKinase1_010692
The XLogP value of 5.70062 indicates that CBKinase1_010692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010692. Following Lipinski's Rule of Five, CBKinase1_010692 has 1 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_010692?
The CAS number of CBKinase1_010692 is 727689-86-3.
What is the molecular formula of CBKinase1_010692?
The molecular formula of CBKinase1_010692 is C26H21N3O2S2.
What is the molecular weight of CBKinase1_010692?
The molecular weight of CBKinase1_010692 is 471.11 g/mol.
Where can I buy CBKinase1_010692?
You can request a quote for CBKinase1_010692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010692?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.