ChemDiv1_007097
TL;DR: ChemDiv1_007097 (CAS 362489-23-4) is a chemical compound with molecular formula C21H25N7O3S2 and molecular weight 487.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]propan-2-one
Also Known As: ChemDiv1_007097, AN-648/15101156, 1-((6-((4,6-dimorpholino-1,3,5-triazin-2-yl)amino)benzo[d]thiazol-2-yl)thio)propan-2-one, 1-{6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzothiazol-2-ylthio}ace tone, 1-({6-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl}thio)acetone
| Molecular Formula | C21H25N7O3S2 |
|---|---|
| Molecular Weight | 487.15 g/mol |
| LogP | 2.5792 |
| Topological Polar Surface Area | 105.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.14603 |
| Heavy Atoms | 33 |
| Complexity | 1093.9938 |
Chemical Identifiers
| CAS Number | 362489-23-4 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 |
Product Overview
ChemDiv1_007097 (CAS 362489-23-4), with molecular formula C21H25N7O3S2 and molecular weight 487.15 g/mol. IUPAC: 1-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]propan-2-one.
Chemical Property Profile of ChemDiv1_007097
Property Insights of ChemDiv1_007097
The XLogP value of 2.5792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007097. The TPSA of 105.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007097. Following Lipinski's Rule of Five, ChemDiv1_007097 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007097?
The CAS number of ChemDiv1_007097 is 362489-23-4.
What is the molecular formula of ChemDiv1_007097?
The molecular formula of ChemDiv1_007097 is C21H25N7O3S2.
What is the molecular weight of ChemDiv1_007097?
The molecular weight of ChemDiv1_007097 is 487.15 g/mol.
Where can I buy ChemDiv1_007097?
You can request a quote for ChemDiv1_007097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007097?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.