2H-486S
TL;DR: 2H-486S (CAS 338399-08-9) is a chemical compound with molecular formula C17H13ClN2O4S2 and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate
Also Known As: 2H-486S, 5-methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 2-chloro-4-(methylsulfonyl)benzenecarboxylate, (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate, 5-methyl-2-(pyridin-2-yl)-1,3-thiazol-4-yl 2-chloro-4-methanesulfonylbenzoate, 5-methyl-2-(pyridin-2-yl)-1,3-thiazol-4-yl2-chloro-4-methanesulfonylbenzoate
| Molecular Formula | C17H13ClN2O4S2 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 3.78962 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.00052 |
| Heavy Atoms | 26 |
| Complexity | 1079.3972 |
Chemical Identifiers
| CAS Number | 338399-08-9 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl |
Product Overview
2H-486S (CAS 338399-08-9), with molecular formula C17H13ClN2O4S2 and molecular weight 408.00 g/mol. IUPAC: (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate.
Chemical Property Profile of 2H-486S
Property Insights of 2H-486S
The XLogP value of 3.78962 indicates that 2H-486S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-486S. Following Lipinski's Rule of Five, 2H-486S has 0 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 2H-486S?
The CAS number of 2H-486S is 338399-08-9.
What is the molecular formula of 2H-486S?
The molecular formula of 2H-486S is C17H13ClN2O4S2.
What is the molecular weight of 2H-486S?
The molecular weight of 2H-486S is 408.00 g/mol.
Where can I buy 2H-486S?
You can request a quote for 2H-486S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-486S?
Yes, KEHONG BIO provides custom synthesis services for 2H-486S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.