11L-953
TL;DR: 11L-953 (CAS 477854-33-4) is a chemical compound with molecular formula C18H11Cl2N5O2S and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dichlorophenyl)-4-methyl-6-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,2,4-triazine-3,5-dione
Also Known As: 11L-953, 2-(3,5-Dichlorophenyl)-4-methyl-6-(2-(3-pyridinyl)-1,3-thiazol-4-yl)-1,2,4-triazine-3,5(2H,4H)-dione, 2-(3,5-dichlorophenyl)-4-methyl-6-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,2,4-triazine-3,5-dione, 2-(3,5-dichlorophenyl)-4-methyl-6-[2-(3-pyridinyl)-1,3-thiazol-4-yl]-1,2,4-triazine-3,5(2H,4H)-dione, 2-(3,5-dichlorophenyl)-4-methyl-6-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
| Molecular Formula | C18H11Cl2N5O2S |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 3.4235 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.00104 |
| Heavy Atoms | 28 |
| Complexity | 1277.3217 |
Chemical Identifiers
| CAS Number | 477854-33-4 |
|---|---|
| SMILES | CN1C(=O)C(=NN(C1=O)C2=CC(=CC(=C2)Cl)Cl)C3=CSC(=N3)C4=CN=CC=C4 |
Product Overview
11L-953 (CAS 477854-33-4), with molecular formula C18H11Cl2N5O2S and molecular weight 431.00 g/mol. IUPAC: 2-(3,5-dichlorophenyl)-4-methyl-6-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 11L-953
Property Insights of 11L-953
The XLogP value of 3.4235 indicates that 11L-953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 11L-953. Following Lipinski's Rule of Five, 11L-953 has 0 hydrogen bond donor(s) and 6 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 11L-953?
The CAS number of 11L-953 is 477854-33-4.
What is the molecular formula of 11L-953?
The molecular formula of 11L-953 is C18H11Cl2N5O2S.
What is the molecular weight of 11L-953?
The molecular weight of 11L-953 is 431.00 g/mol.
Where can I buy 11L-953?
You can request a quote for 11L-953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-953?
Yes, KEHONG BIO provides custom synthesis services for 11L-953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.