CBKinase1_001129
TL;DR: CBKinase1_001129 (CAS 305383-70-4) is a chemical compound with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate
Also Known As: CBKinase1_001129, CBKinase1_013529, AB00100725-01, BRD-K95501651-001-01-8, ethyl 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C15H19N3O3S2 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 87.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0868 |
| Heavy Atoms | 23 |
| Complexity | 757.9953 |
Chemical Identifiers
| CAS Number | 305383-70-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N |
Product Overview
CBKinase1_001129 (CAS 305383-70-4), with molecular formula C15H19N3O3S2 and molecular weight 353.09 g/mol. IUPAC: ethyl 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate.
Chemical Property Profile of CBKinase1_001129
Property Insights of CBKinase1_001129
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_001129. The TPSA of 87.33 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001129. Following Lipinski's Rule of Five, CBKinase1_001129 has 1 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_001129?
The CAS number of CBKinase1_001129 is 305383-70-4.
What is the molecular formula of CBKinase1_001129?
The molecular formula of CBKinase1_001129 is C15H19N3O3S2.
What is the molecular weight of CBKinase1_001129?
The molecular weight of CBKinase1_001129 is 353.09 g/mol.
Where can I buy CBKinase1_001129?
You can request a quote for CBKinase1_001129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001129?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.