CBKinase1_008745
TL;DR: CBKinase1_008745 (CAS 587002-14-0) is a chemical compound with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_008745, CBKinase1_021145, BRD-K39776044-001-01-1, 1-(4-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-bromophenyl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
| Molecular Formula | C23H19BrN4O2S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 5.4655 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.0412 |
| Heavy Atoms | 31 |
| Complexity | 1162.673 |
Chemical Identifiers
| CAS Number | 587002-14-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
CBKinase1_008745 (CAS 587002-14-0), with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_008745
Property Insights of CBKinase1_008745
The XLogP value of 5.4655 indicates that CBKinase1_008745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008745. Following Lipinski's Rule of Five, CBKinase1_008745 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_008745?
The CAS number of CBKinase1_008745 is 587002-14-0.
What is the molecular formula of CBKinase1_008745?
The molecular formula of CBKinase1_008745 is C23H19BrN4O2S.
What is the molecular weight of CBKinase1_008745?
The molecular weight of CBKinase1_008745 is 494.04 g/mol.
Where can I buy CBKinase1_008745?
You can request a quote for CBKinase1_008745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008745?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.