CBKinase1_004531
TL;DR: CBKinase1_004531 (CAS 488119-45-5) is a chemical compound with molecular formula C20H18BrN5OS2 and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004531, CBKinase1_016931, BRD-K45439803-001-01-9, N-(4-bromophenyl)-2-((5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide, N-(4-bromophenyl)-2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H18BrN5OS2 |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 5.01952 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.0136 |
| Heavy Atoms | 29 |
| Complexity | 1231.6091 |
Chemical Identifiers
| CAS Number | 488119-45-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)SCC(=O)NC5=CC=C(C=C5)Br |
Product Overview
CBKinase1_004531 (CAS 488119-45-5), with molecular formula C20H18BrN5OS2 and molecular weight 487.01 g/mol. IUPAC: N-(4-bromophenyl)-2-[(7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004531
Property Insights of CBKinase1_004531
The XLogP value of 5.01952 indicates that CBKinase1_004531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004531. Following Lipinski's Rule of Five, CBKinase1_004531 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004531?
The CAS number of CBKinase1_004531 is 488119-45-5.
What is the molecular formula of CBKinase1_004531?
The molecular formula of CBKinase1_004531 is C20H18BrN5OS2.
What is the molecular weight of CBKinase1_004531?
The molecular weight of CBKinase1_004531 is 487.01 g/mol.
Where can I buy CBKinase1_004531?
You can request a quote for CBKinase1_004531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004531?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.