ChemDiv3_006287
TL;DR: ChemDiv3_006287 (CAS 689749-55-1) is a chemical compound with molecular formula C16H18N4O2S3 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl] 4-methylpiperazine-1-carbodithioate
Also Known As: ChemDiv3_006287, IDI1_024197, BRD-K76337941-001-01-0, 2-oxo-2-((4-oxo-4H-benzo[e][1,3]thiazin-2-yl)amino)ethyl 4-methylpiperazine-1-carbodithioate, [2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl] 4-methylpiperazine-1-carbodithioate
| Molecular Formula | C16H18N4O2S3 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 1.8605 |
| Topological Polar Surface Area | 65.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.0592 |
| Heavy Atoms | 25 |
| Complexity | 846.63385 |
Chemical Identifiers
| CAS Number | 689749-55-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCC(=O)NC2=NC(=O)C3=CC=CC=C3S2 |
Product Overview
ChemDiv3_006287 (CAS 689749-55-1), with molecular formula C16H18N4O2S3 and molecular weight 394.06 g/mol. IUPAC: [2-oxo-2-[(4-oxo-1,3-benzothiazin-2-yl)amino]ethyl] 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of ChemDiv3_006287
Property Insights of ChemDiv3_006287
The XLogP value of 1.8605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006287. The TPSA of 65.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006287. Following Lipinski's Rule of Five, ChemDiv3_006287 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_006287?
The CAS number of ChemDiv3_006287 is 689749-55-1.
What is the molecular formula of ChemDiv3_006287?
The molecular formula of ChemDiv3_006287 is C16H18N4O2S3.
What is the molecular weight of ChemDiv3_006287?
The molecular weight of ChemDiv3_006287 is 394.06 g/mol.
Where can I buy ChemDiv3_006287?
You can request a quote for ChemDiv3_006287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006287?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.