CBKinase1_005794
TL;DR: CBKinase1_005794 (CAS 701251-45-8) is a chemical compound with molecular formula C20H17Cl2N5O2S and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
Also Known As: CBKinase1_005794, CBKinase1_018194, AN-153/43310584, BRD-A54994785-001-01-5, 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
| Molecular Formula | C20H17Cl2N5O2S |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 5.18244 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.048 |
| Heavy Atoms | 30 |
| Complexity | 1253.4596 |
Chemical Identifiers
| CAS Number | 701251-45-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C(C)OC4=C(C=C(C=C4)Cl)Cl |
Product Overview
CBKinase1_005794 (CAS 701251-45-8), with molecular formula C20H17Cl2N5O2S and molecular weight 461.05 g/mol. IUPAC: 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide.
Chemical Property Profile of CBKinase1_005794
Property Insights of CBKinase1_005794
The XLogP value of 5.18244 indicates that CBKinase1_005794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005794. Following Lipinski's Rule of Five, CBKinase1_005794 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_005794?
The CAS number of CBKinase1_005794 is 701251-45-8.
What is the molecular formula of CBKinase1_005794?
The molecular formula of CBKinase1_005794 is C20H17Cl2N5O2S.
What is the molecular weight of CBKinase1_005794?
The molecular weight of CBKinase1_005794 is 461.05 g/mol.
Where can I buy CBKinase1_005794?
You can request a quote for CBKinase1_005794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005794?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.