ChemDiv2_006102
TL;DR: ChemDiv2_006102 (CAS 1164549-53-4) is a chemical compound with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
Also Known As: ChemDiv2_006102, IDI1_004817, (Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide, N-[(2Z)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}acetamide, N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
| Molecular Formula | C16H19N3O2S2 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 2.0227 |
| Topological Polar Surface Area | 54.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09186 |
| Heavy Atoms | 23 |
| Complexity | 787.9644 |
Chemical Identifiers
| CAS Number | 1164549-53-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCC3 |
Product Overview
ChemDiv2_006102 (CAS 1164549-53-4), with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol. IUPAC: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide.
Chemical Property Profile of ChemDiv2_006102
Property Insights of ChemDiv2_006102
The XLogP value of 2.0227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006102. With a topological polar surface area (TPSA) of 54.67 Ų, ChemDiv2_006102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_006102 has 0 hydrogen bond donor(s) and 4 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 ChemDiv2_006102?
The CAS number of ChemDiv2_006102 is 1164549-53-4.
What is the molecular formula of ChemDiv2_006102?
The molecular formula of ChemDiv2_006102 is C16H19N3O2S2.
What is the molecular weight of ChemDiv2_006102?
The molecular weight of ChemDiv2_006102 is 349.09 g/mol.
Where can I buy ChemDiv2_006102?
You can request a quote for ChemDiv2_006102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006102?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.