RefChem:296631
TL;DR: RefChem:296631 (CAS 59167-68-9) is a chemical compound with molecular formula C12H14N6O4S2 and molecular weight 370.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(1-methyl-5-nitroimidazol-2-yl)-1,3-thiazol-4-yl]methanimine
Also Known As: 4-Thiomorpholinamine, N-((2-(1-methyl-5-nitro-1H-imidazol-2-yl)-4-thiazolyl)methylene)-, 1,1-dioxide, 4-thiomorpholinamine, n-[[2-(1-methyl-5-nitro-1h-imidazol-2-yl)-4-thiazolyl]methylene]-, 1,1-dioxide, 4-({[2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]methylidene}amino)-1lambda~6~-thiomorpholine-1,1-dione, BRN 0860567, RefChem:296631
| Molecular Formula | C12H14N6O4S2 |
|---|---|
| Molecular Weight | 370.05 g/mol |
| LogP | 0.5161 |
| Topological Polar Surface Area | 123.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.0518 |
| Heavy Atoms | 24 |
| Complexity | 886.5448 |
Chemical Identifiers
| CAS Number | 59167-68-9 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NC(=CS2)/C=N/N3CCS(=O)(=O)CC3)[N+](=O)[O-] |
Product Overview
RefChem:296631 (CAS 59167-68-9), with molecular formula C12H14N6O4S2 and molecular weight 370.05 g/mol. IUPAC: (E)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(1-methyl-5-nitroimidazol-2-yl)-1,3-thiazol-4-yl]methanimine.
Chemical Property Profile of RefChem:296631
Property Insights of RefChem:296631
The XLogP value of 0.5161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296631. The TPSA of 123.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296631. Following Lipinski's Rule of Five, RefChem:296631 has 0 hydrogen bond donor(s) and 9 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 RefChem:296631?
The CAS number of RefChem:296631 is 59167-68-9.
What is the molecular formula of RefChem:296631?
The molecular formula of RefChem:296631 is C12H14N6O4S2.
What is the molecular weight of RefChem:296631?
The molecular weight of RefChem:296631 is 370.05 g/mol.
Where can I buy RefChem:296631?
You can request a quote for RefChem:296631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.