![N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide structure](/static/products/879/879941-90-9.png)
N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
TL;DR: N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide (CAS 879941-90-9) is a chemical compound with molecular formula C15H17ClN2O3S2 and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(2-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Also Known As: N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide, (Z)-N-(3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)propionamide, 4-[(2-chlorophenyl)methyl]-5-(2-oxo-1-azabutylidene)-1,3,4,6,3a,6a-hexahydro-2 ,6-dithia-4-azapentalene-2,2-dione, N-[3-[(2-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
| Molecular Formula | C15H17ClN2O3S2 |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 2.347 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.03693 |
| Heavy Atoms | 23 |
| Complexity | 763.7404 |
Chemical Identifiers
| CAS Number | 879941-90-9 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC3=CC=CC=C3Cl |
Product Overview
N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide (CAS 879941-90-9), with molecular formula C15H17ClN2O3S2 and molecular weight 372.04 g/mol. IUPAC: N-[3-[(2-chlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide.
Chemical Property Profile of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Property Insights of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
The XLogP value of 2.347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide. Following Lipinski's Rule of Five, N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide 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 N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide?
The CAS number of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide is 879941-90-9.
What is the molecular formula of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide?
The molecular formula of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide is C15H17ClN2O3S2.
What is the molecular weight of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide?
The molecular weight of N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide is 372.04 g/mol.
Where can I buy N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide?
You can request a quote for N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2E)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.