CBKinase1_002612
TL;DR: CBKinase1_002612 (CAS 496776-70-6) is a chemical compound with molecular formula C19H13ClN4O3S2 and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
Also Known As: CBKinase1_002612, CBKinase1_015012, SDCCGSBI-0660744.P001, 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone, 2-[5-(3-chlorobenzo[b]thiophen-2-yl)-4-methyl(1,2,4-triazol-3-ylthio)]-1-(4-ni trophenyl)ethan-1-one
| Molecular Formula | C19H13ClN4O3S2 |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | 5.2334 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.01175 |
| Heavy Atoms | 29 |
| Complexity | 1234.2219 |
Chemical Identifiers
| CAS Number | 496776-70-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
CBKinase1_002612 (CAS 496776-70-6), with molecular formula C19H13ClN4O3S2 and molecular weight 444.01 g/mol. IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of CBKinase1_002612
Property Insights of CBKinase1_002612
The XLogP value of 5.2334 indicates that CBKinase1_002612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002612. Following Lipinski's Rule of Five, CBKinase1_002612 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002612?
The CAS number of CBKinase1_002612 is 496776-70-6.
What is the molecular formula of CBKinase1_002612?
The molecular formula of CBKinase1_002612 is C19H13ClN4O3S2.
What is the molecular weight of CBKinase1_002612?
The molecular weight of CBKinase1_002612 is 444.01 g/mol.
Where can I buy CBKinase1_002612?
You can request a quote for CBKinase1_002612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002612?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.