CBKinase1_007108
TL;DR: CBKinase1_007108 (CAS 727689-59-0) is a chemical compound with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: CBKinase1_007108, CBKinase1_019508, BRD-K23016234-001-01-0, F1142-3920, 1-(3,4-dimethylphenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one
| Molecular Formula | C19H18N2OS2 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 4.77184 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.08606 |
| Heavy Atoms | 24 |
| Complexity | 945.93494 |
Chemical Identifiers
| CAS Number | 727689-59-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4)C |
Product Overview
CBKinase1_007108 (CAS 727689-59-0), with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_007108
Property Insights of CBKinase1_007108
The XLogP value of 4.77184 indicates that CBKinase1_007108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, CBKinase1_007108 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007108 has 0 hydrogen bond donor(s) and 5 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_007108?
The CAS number of CBKinase1_007108 is 727689-59-0.
What is the molecular formula of CBKinase1_007108?
The molecular formula of CBKinase1_007108 is C19H18N2OS2.
What is the molecular weight of CBKinase1_007108?
The molecular weight of CBKinase1_007108 is 354.09 g/mol.
Where can I buy CBKinase1_007108?
You can request a quote for CBKinase1_007108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007108?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.