CBKinase1_002536
TL;DR: CBKinase1_002536 (CAS 496776-77-3) is a chemical compound with molecular formula C19H14ClN3O2S2 and molecular weight 415.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: CBKinase1_002536, CBKinase1_014936, BRD-K78499845-001-01-3, methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate, Methyl 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C19H14ClN3O2S2 |
|---|---|
| Molecular Weight | 415.02 g/mol |
| LogP | 5.0675 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.0216 |
| Heavy Atoms | 27 |
| Complexity | 1108.8058 |
Chemical Identifiers
| CAS Number | 496776-77-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
CBKinase1_002536 (CAS 496776-77-3), with molecular formula C19H14ClN3O2S2 and molecular weight 415.02 g/mol. IUPAC: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of CBKinase1_002536
Property Insights of CBKinase1_002536
The XLogP value of 5.0675 indicates that CBKinase1_002536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, CBKinase1_002536 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002536 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_002536?
The CAS number of CBKinase1_002536 is 496776-77-3.
What is the molecular formula of CBKinase1_002536?
The molecular formula of CBKinase1_002536 is C19H14ClN3O2S2.
What is the molecular weight of CBKinase1_002536?
The molecular weight of CBKinase1_002536 is 415.02 g/mol.
Where can I buy CBKinase1_002536?
You can request a quote for CBKinase1_002536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002536?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.