3H-417S
TL;DR: 3H-417S (CAS 338409-41-9) is a chemical compound with molecular formula C16H12ClN3O4S2 and molecular weight 409.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate
Also Known As: 3H-417S, 5-methyl-2-(2-pyrazinyl)-1,3-thiazol-4-yl 2-chloro-4-(methylsulfonyl)benzenecarboxylate, (5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate, 5-methyl-2-(pyrazin-2-yl)-1,3-thiazol-4-yl 2-chloro-4-methanesulfonylbenzoate, 5-methyl-2-(pyrazin-2-yl)-1,3-thiazol-4-yl2-chloro-4-methanesulfonylbenzoate
| Molecular Formula | C16H12ClN3O4S2 |
|---|---|
| Molecular Weight | 409.00 g/mol |
| LogP | 3.18462 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.9958 |
| Heavy Atoms | 26 |
| Complexity | 1082.1293 |
Chemical Identifiers
| CAS Number | 338409-41-9 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=NC=CN=C2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl |
Product Overview
3H-417S (CAS 338409-41-9), with molecular formula C16H12ClN3O4S2 and molecular weight 409.00 g/mol. IUPAC: (5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate.
Chemical Property Profile of 3H-417S
Property Insights of 3H-417S
The XLogP value of 3.18462 indicates that 3H-417S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-417S. Following Lipinski's Rule of Five, 3H-417S has 0 hydrogen bond donor(s) and 8 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 3H-417S?
The CAS number of 3H-417S is 338409-41-9.
What is the molecular formula of 3H-417S?
The molecular formula of 3H-417S is C16H12ClN3O4S2.
What is the molecular weight of 3H-417S?
The molecular weight of 3H-417S is 409.00 g/mol.
Where can I buy 3H-417S?
You can request a quote for 3H-417S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-417S?
Yes, KEHONG BIO provides custom synthesis services for 3H-417S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.