CBKinase1_002848
TL;DR: CBKinase1_002848 (CAS 693237-43-3) is a chemical compound with molecular formula C12H12ClN3OS2 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002848, CBKinase1_015248, BAS 05948572, BRD-K35590203-001-01-7, N-(3-chloro-4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C12H12ClN3OS2 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.53914 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.01102 |
| Heavy Atoms | 19 |
| Complexity | 600.41046 |
Chemical Identifiers
| CAS Number | 693237-43-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)C)Cl |
Product Overview
CBKinase1_002848 (CAS 693237-43-3), with molecular formula C12H12ClN3OS2 and molecular weight 313.01 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002848
Property Insights of CBKinase1_002848
The XLogP value of 3.53914 indicates that CBKinase1_002848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, CBKinase1_002848 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002848 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002848?
The CAS number of CBKinase1_002848 is 693237-43-3.
What is the molecular formula of CBKinase1_002848?
The molecular formula of CBKinase1_002848 is C12H12ClN3OS2.
What is the molecular weight of CBKinase1_002848?
The molecular weight of CBKinase1_002848 is 313.01 g/mol.
Where can I buy CBKinase1_002848?
You can request a quote for CBKinase1_002848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002848?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.