![N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide structure](/static/products/600/600160-48-3.png)
N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
TL;DR: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide (CAS 600160-48-3) is a chemical compound with molecular formula C18H16N4O5S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide, N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
| Molecular Formula | C18H16N4O5S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.3066 |
| Topological Polar Surface Area | 116.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.08414 |
| Heavy Atoms | 28 |
| Complexity | 1020.7155 |
Chemical Identifiers
| CAS Number | 600160-48-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide (CAS 600160-48-3), with molecular formula C18H16N4O5S and molecular weight 400.08 g/mol. IUPAC: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
Property Insights of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
The XLogP value of 3.3066 indicates that N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide has 1 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 N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide?
The CAS number of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide is 600160-48-3.
What is the molecular formula of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide?
The molecular formula of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide is C18H16N4O5S.
What is the molecular weight of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide?
The molecular weight of N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide is 400.08 g/mol.
Where can I buy N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide?
You can request a quote for N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.