Pde11-IN-1
TL;DR: Pde11-IN-1 (CAS 522652-41-1) is a chemical compound with molecular formula C16H10ClN3O3S and molecular weight 359.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
Also Known As: 3-(3-chlorophenyl)-8-methoxy-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione, AJ-292/41685994, US9173884, BC11-19-5, 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione, A2953/0124405
| Molecular Formula | C16H10ClN3O3S |
|---|---|
| Molecular Weight | 359.01 g/mol |
| LogP | 2.7221 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.01315 |
| Heavy Atoms | 24 |
| Complexity | 1208.8549 |
Chemical Identifiers
| CAS Number | 522652-41-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N3C(=NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)S2 |
Product Overview
Pde11-IN-1 (CAS 522652-41-1), with molecular formula C16H10ClN3O3S and molecular weight 359.01 g/mol. IUPAC: 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
Chemical Property Profile of Pde11-IN-1
Property Insights of Pde11-IN-1
The XLogP value of 2.7221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pde11-IN-1. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pde11-IN-1. Following Lipinski's Rule of Five, Pde11-IN-1 has 0 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 Pde11-IN-1?
The CAS number of Pde11-IN-1 is 522652-41-1.
What is the molecular formula of Pde11-IN-1?
The molecular formula of Pde11-IN-1 is C16H10ClN3O3S.
What is the molecular weight of Pde11-IN-1?
The molecular weight of Pde11-IN-1 is 359.01 g/mol.
Where can I buy Pde11-IN-1?
You can request a quote for Pde11-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pde11-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Pde11-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.