CBKinase1_011256
TL;DR: CBKinase1_011256 (CAS 485763-36-8) is a chemical compound with molecular formula C20H14BrN3OS2 and molecular weight 454.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_011256, CBKinase1_023656, A3310/0140723, BRD-K27017663-001-01-4, 1-(4-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C20H14BrN3OS2 |
|---|---|
| Molecular Weight | 454.98 g/mol |
| LogP | 5.7333 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.97617 |
| Heavy Atoms | 27 |
| Complexity | 1044.7975 |
Chemical Identifiers
| CAS Number | 485763-36-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4 |
Product Overview
CBKinase1_011256 (CAS 485763-36-8), with molecular formula C20H14BrN3OS2 and molecular weight 454.98 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_011256
Property Insights of CBKinase1_011256
The XLogP value of 5.7333 indicates that CBKinase1_011256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, CBKinase1_011256 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_011256 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011256?
The CAS number of CBKinase1_011256 is 485763-36-8.
What is the molecular formula of CBKinase1_011256?
The molecular formula of CBKinase1_011256 is C20H14BrN3OS2.
What is the molecular weight of CBKinase1_011256?
The molecular weight of CBKinase1_011256 is 454.98 g/mol.
Where can I buy CBKinase1_011256?
You can request a quote for CBKinase1_011256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011256?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.