![1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea structure](/static/products/4296/429627-39-4.webp)
1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
TL;DR: 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea (CAS 429627-39-4) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
Also Known As: AB00110659-01, 1-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea, 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea, 1-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea, 1-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dimethylphenyl)urea
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.40694 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 987.3322 |
Chemical Identifiers
| CAS Number | 429627-39-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC)C |
Product Overview
1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea (CAS 429627-39-4), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea.
Chemical Property Profile of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
Property Insights of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea
The XLogP value of 4.40694 indicates that 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea. Following Lipinski's Rule of Five, 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea has 2 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 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The CAS number of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea is 429627-39-4.
What is the molecular formula of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The molecular formula of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea is C20H22N4O3S.
What is the molecular weight of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
The molecular weight of 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea is 398.14 g/mol.
Where can I buy 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
You can request a quote for 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(3,4-Dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.