CBKinase1_004712
TL;DR: CBKinase1_004712 (CAS 575468-55-2) is a chemical compound with molecular formula C18H16N6S3 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: CBKinase1_004712, CBKinase1_017112, SDCCGSBI-0660249.P001, VU0049815-2, BRD-K98579150-001-01-7
| Molecular Formula | C18H16N6S3 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 4.6496 |
| Topological Polar Surface Area | 89.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.05984 |
| Heavy Atoms | 27 |
| Complexity | 1105.1931 |
Chemical Identifiers
| CAS Number | 575468-55-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=NN=C(S4)NC5=CC=CC=C5 |
Product Overview
CBKinase1_004712 (CAS 575468-55-2), with molecular formula C18H16N6S3 and molecular weight 412.06 g/mol. IUPAC: 10-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of CBKinase1_004712
Property Insights of CBKinase1_004712
The XLogP value of 4.6496 indicates that CBKinase1_004712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004712. Following Lipinski's Rule of Five, CBKinase1_004712 has 2 hydrogen bond donor(s) and 9 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_004712?
The CAS number of CBKinase1_004712 is 575468-55-2.
What is the molecular formula of CBKinase1_004712?
The molecular formula of CBKinase1_004712 is C18H16N6S3.
What is the molecular weight of CBKinase1_004712?
The molecular weight of CBKinase1_004712 is 412.06 g/mol.
Where can I buy CBKinase1_004712?
You can request a quote for CBKinase1_004712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004712?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.