CBKinase1_007700
TL;DR: CBKinase1_007700 (CAS 708998-99-6) is a chemical compound with molecular formula C20H20N2OS2 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: CBKinase1_007700, CBKinase1_020100, BRD-K89324472-001-01-0, F1142-2937, 1-(3,4-dimethylphenyl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one
| Molecular Formula | C20H20N2OS2 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 5.16194 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1017 |
| Heavy Atoms | 25 |
| Complexity | 961.72974 |
Chemical Identifiers
| CAS Number | 708998-99-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)C |
Product Overview
CBKinase1_007700 (CAS 708998-99-6), with molecular formula C20H20N2OS2 and molecular weight 368.10 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_007700
Property Insights of CBKinase1_007700
The XLogP value of 5.16194 indicates that CBKinase1_007700 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_007700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007700 has 0 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_007700?
The CAS number of CBKinase1_007700 is 708998-99-6.
What is the molecular formula of CBKinase1_007700?
The molecular formula of CBKinase1_007700 is C20H20N2OS2.
What is the molecular weight of CBKinase1_007700?
The molecular weight of CBKinase1_007700 is 368.10 g/mol.
Where can I buy CBKinase1_007700?
You can request a quote for CBKinase1_007700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007700?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.