CBKinase1_007445
TL;DR: CBKinase1_007445 (CAS 452293-84-4) is a chemical compound with molecular formula C20H14N4S3 and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
Also Known As: CBKinase1_007445, CBKinase1_019845, 2-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-benzothiazole, BRD-K35479109-001-01-8, F1595-0100
| Molecular Formula | C20H14N4S3 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 5.8978 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.03806 |
| Heavy Atoms | 27 |
| Complexity | 1143.6407 |
Chemical Identifiers
| CAS Number | 452293-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5 |
Product Overview
CBKinase1_007445 (CAS 452293-84-4), with molecular formula C20H14N4S3 and molecular weight 406.04 g/mol. IUPAC: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole.
Chemical Property Profile of CBKinase1_007445
Property Insights of CBKinase1_007445
The XLogP value of 5.8978 indicates that CBKinase1_007445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, CBKinase1_007445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007445 has 0 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_007445?
The CAS number of CBKinase1_007445 is 452293-84-4.
What is the molecular formula of CBKinase1_007445?
The molecular formula of CBKinase1_007445 is C20H14N4S3.
What is the molecular weight of CBKinase1_007445?
The molecular weight of CBKinase1_007445 is 406.04 g/mol.
Where can I buy CBKinase1_007445?
You can request a quote for CBKinase1_007445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007445?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.