ChemDiv3_014496
TL;DR: ChemDiv3_014496 (CAS 879944-33-9) is a chemical compound with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-methylpropanamide
Also Known As: ChemDiv3_014496, IDI1_030294, N-[(2E)-5,5-dioxido-3-phenyltetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide, (Z)-N-(5,5-dioxido-3-phenyltetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)isobutyramide, 5-(3-methyl-2-oxo-1-azabutylidene)-4-phenyl-1,3,4,6,3a,6a-hexahydro-2,6-dithia -4-azapentalene-2,2-dione
| Molecular Formula | C15H18N2O3S2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 1.944 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0759 |
| Heavy Atoms | 22 |
| Complexity | 713.5629 |
Chemical Identifiers
| CAS Number | 879944-33-9 |
|---|---|
| SMILES | CC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=CC=C3 |
Product Overview
ChemDiv3_014496 (CAS 879944-33-9), with molecular formula C15H18N2O3S2 and molecular weight 338.08 g/mol. IUPAC: N-(5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-2-methylpropanamide.
Chemical Property Profile of ChemDiv3_014496
Property Insights of ChemDiv3_014496
The XLogP value of 1.944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_014496. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014496. Following Lipinski's Rule of Five, ChemDiv3_014496 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_014496?
The CAS number of ChemDiv3_014496 is 879944-33-9.
What is the molecular formula of ChemDiv3_014496?
The molecular formula of ChemDiv3_014496 is C15H18N2O3S2.
What is the molecular weight of ChemDiv3_014496?
The molecular weight of ChemDiv3_014496 is 338.08 g/mol.
Where can I buy ChemDiv3_014496?
You can request a quote for ChemDiv3_014496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014496?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.