CBKinase1_005105
TL;DR: CBKinase1_005105 (CAS 690960-48-6) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: CBKinase1_005105, CBKinase1_017505, VU0618488-1, F3394-1409, AQ-750/42052650
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.00234 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1080.7089 |
Chemical Identifiers
| CAS Number | 690960-48-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C |
Product Overview
CBKinase1_005105 (CAS 690960-48-6), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of CBKinase1_005105
Property Insights of CBKinase1_005105
The XLogP value of 4.00234 indicates that CBKinase1_005105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005105. Following Lipinski's Rule of Five, CBKinase1_005105 has 0 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_005105?
The CAS number of CBKinase1_005105 is 690960-48-6.
What is the molecular formula of CBKinase1_005105?
The molecular formula of CBKinase1_005105 is C21H23N3O3S2.
What is the molecular weight of CBKinase1_005105?
The molecular weight of CBKinase1_005105 is 429.12 g/mol.
Where can I buy CBKinase1_005105?
You can request a quote for CBKinase1_005105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005105?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.