CBKinase1_007826
TL;DR: CBKinase1_007826 (CAS 488733-18-2) is a chemical compound with molecular formula C19H19N3OS3 and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_007826, CBKinase1_020226, BRD-K36304529-001-01-9, 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-phenylethanone, 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
| Molecular Formula | C19H19N3OS3 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 4.8164 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.06903 |
| Heavy Atoms | 26 |
| Complexity | 982.6081 |
Chemical Identifiers
| CAS Number | 488733-18-2 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=NC(=NC(=C23)N)SCC(=O)C4=CC=CC=C4)C |
Product Overview
CBKinase1_007826 (CAS 488733-18-2), with molecular formula C19H19N3OS3 and molecular weight 401.07 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of CBKinase1_007826
Property Insights of CBKinase1_007826
The XLogP value of 4.8164 indicates that CBKinase1_007826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007826. Following Lipinski's Rule of Five, CBKinase1_007826 has 1 hydrogen bond donor(s) and 7 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_007826?
The CAS number of CBKinase1_007826 is 488733-18-2.
What is the molecular formula of CBKinase1_007826?
The molecular formula of CBKinase1_007826 is C19H19N3OS3.
What is the molecular weight of CBKinase1_007826?
The molecular weight of CBKinase1_007826 is 401.07 g/mol.
Where can I buy CBKinase1_007826?
You can request a quote for CBKinase1_007826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007826?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.