N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide
TL;DR: N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide (CAS 714941-32-9) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 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]-4-propan-2-ylbenzamide
Also Known As: N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-ylbenzamide, N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-(propan-2-yl)benzamide
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 4.5218 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 951.7846 |
Chemical Identifiers
| CAS Number | 714941-32-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC |
Product Overview
N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide (CAS 714941-32-9), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-ylbenzamide.
Chemical Property Profile of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide
Property Insights of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide
The XLogP value of 4.5218 indicates that N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide. Following Lipinski's Rule of Five, N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide has 1 hydrogen bond donor(s) and 6 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-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide?
The CAS number of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide is 714941-32-9.
What is the molecular formula of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide?
The molecular formula of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide is C21H23N3O3S.
What is the molecular weight of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide?
The molecular weight of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide is 397.15 g/mol.
Where can I buy N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide?
You can request a quote for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-4-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.