CBKinase1_007828
TL;DR: CBKinase1_007828 (CAS 498570-12-0) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid
Also Known As: CBKinase1_007828, CBKinase1_020228, BRD-K31912072-001-01-5, 2-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid, {[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetic acid
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.4039 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1307.0259 |
Chemical Identifiers
| CAS Number | 498570-12-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)O)N(C3=O)CCC5=CC=CC=C5 |
Product Overview
CBKinase1_007828 (CAS 498570-12-0), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: 2-[[8-oxo-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of CBKinase1_007828
Property Insights of CBKinase1_007828
The XLogP value of 3.4039 indicates that CBKinase1_007828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007828. Following Lipinski's Rule of Five, CBKinase1_007828 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_007828?
The CAS number of CBKinase1_007828 is 498570-12-0.
What is the molecular formula of CBKinase1_007828?
The molecular formula of CBKinase1_007828 is C21H20N4O3S2.
What is the molecular weight of CBKinase1_007828?
The molecular weight of CBKinase1_007828 is 440.10 g/mol.
Where can I buy CBKinase1_007828?
You can request a quote for CBKinase1_007828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007828?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.