CBKinase1_004982
TL;DR: CBKinase1_004982 (CAS 331964-61-5) is a chemical compound with molecular formula C17H15N3OS2 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_004982, CBKinase1_017382, BAS 00700480, BRD-K88526345-001-01-6, 2-((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-phenylethanone
| Molecular Formula | C17H15N3OS2 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.7372 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.06564 |
| Heavy Atoms | 23 |
| Complexity | 889.7399 |
Chemical Identifiers
| CAS Number | 331964-61-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)C4=CC=CC=C4 |
Product Overview
CBKinase1_004982 (CAS 331964-61-5), with molecular formula C17H15N3OS2 and molecular weight 341.07 g/mol. IUPAC: 2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of CBKinase1_004982
Property Insights of CBKinase1_004982
The XLogP value of 3.7372 indicates that CBKinase1_004982 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_004982. Following Lipinski's Rule of Five, CBKinase1_004982 has 1 hydrogen bond donor(s) and 6 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_004982?
The CAS number of CBKinase1_004982 is 331964-61-5.
What is the molecular formula of CBKinase1_004982?
The molecular formula of CBKinase1_004982 is C17H15N3OS2.
What is the molecular weight of CBKinase1_004982?
The molecular weight of CBKinase1_004982 is 341.07 g/mol.
Where can I buy CBKinase1_004982?
You can request a quote for CBKinase1_004982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004982?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.