CBKinase1_003973
TL;DR: CBKinase1_003973 (CAS 496022-45-8) is a chemical compound with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: CBKinase1_003973, CBKinase1_016373, BAS 04461828, BRD-K71350262-001-01-9, 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-1-morpholin-4-yl-ethanone
| Molecular Formula | C15H17N3O2S2 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.1309 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07623 |
| Heavy Atoms | 22 |
| Complexity | 710.1206 |
Chemical Identifiers
| CAS Number | 496022-45-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N4CCOCC4 |
Product Overview
CBKinase1_003973 (CAS 496022-45-8), with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol. IUPAC: 1-morpholin-4-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_003973
Property Insights of CBKinase1_003973
The XLogP value of 2.1309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003973. With a topological polar surface area (TPSA) of 55.32 Ų, CBKinase1_003973 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003973 has 0 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_003973?
The CAS number of CBKinase1_003973 is 496022-45-8.
What is the molecular formula of CBKinase1_003973?
The molecular formula of CBKinase1_003973 is C15H17N3O2S2.
What is the molecular weight of CBKinase1_003973?
The molecular weight of CBKinase1_003973 is 335.08 g/mol.
Where can I buy CBKinase1_003973?
You can request a quote for CBKinase1_003973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003973?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.