CBKinase1_011124
TL;DR: CBKinase1_011124 (CAS 956202-00-9) is a chemical compound with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: CBKinase1_011124, CBKinase1_023524, BRD-K07134941-001-01-5, F3007-0379, 11-[(furan-2-yl)methyl]-10-{[(5-hydroxy-1H-pyrazol-3-yl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C18H16N4O3S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 2.8967 |
| Topological Polar Surface Area | 96.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.06638 |
| Heavy Atoms | 27 |
| Complexity | 1229.994 |
Chemical Identifiers
| CAS Number | 956202-00-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=O)NN4)CC5=CC=CO5 |
Product Overview
CBKinase1_011124 (CAS 956202-00-9), with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol. IUPAC: 11-(furan-2-ylmethyl)-10-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of CBKinase1_011124
Property Insights of CBKinase1_011124
The XLogP value of 2.8967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011124. The TPSA of 96.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011124. Following Lipinski's Rule of Five, CBKinase1_011124 has 2 hydrogen bond donor(s) and 6 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_011124?
The CAS number of CBKinase1_011124 is 956202-00-9.
What is the molecular formula of CBKinase1_011124?
The molecular formula of CBKinase1_011124 is C18H16N4O3S2.
What is the molecular weight of CBKinase1_011124?
The molecular weight of CBKinase1_011124 is 400.07 g/mol.
Where can I buy CBKinase1_011124?
You can request a quote for CBKinase1_011124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011124?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.