CBKinase1_003940
TL;DR: CBKinase1_003940 (CAS 488732-77-0) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetate
Also Known As: CBKinase1_003940, CBKinase1_016340, BRD-K42287618-001-01-0, ethyl 2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetate, ethyl [(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.746 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 1000.1693 |
Chemical Identifiers
| CAS Number | 488732-77-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
CBKinase1_003940 (CAS 488732-77-0), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: ethyl 2-[(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)sulfanyl]acetate.
Chemical Property Profile of CBKinase1_003940
Property Insights of CBKinase1_003940
The XLogP value of 3.746 indicates that CBKinase1_003940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003940. Following Lipinski's Rule of Five, CBKinase1_003940 has 0 hydrogen bond donor(s) and 8 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_003940?
The CAS number of CBKinase1_003940 is 488732-77-0.
What is the molecular formula of CBKinase1_003940?
The molecular formula of CBKinase1_003940 is C18H19N3O3S2.
What is the molecular weight of CBKinase1_003940?
The molecular weight of CBKinase1_003940 is 389.09 g/mol.
Where can I buy CBKinase1_003940?
You can request a quote for CBKinase1_003940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003940?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.