![1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea structure](/static/products/4296/429627-58-7.webp)
1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
TL;DR: 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea (CAS 429627-58-7) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3,4-dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea, AB00110664-01, 1-(3,4-dimethylphenyl)-3-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3,4-dimethylphenyl)-3-[(2E)-5-(phenoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 4.37794 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 864.52246 |
Chemical Identifiers
| CAS Number | 429627-58-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3)C |
Product Overview
1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea (CAS 429627-58-7), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
Property Insights of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
The XLogP value of 4.37794 indicates that 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea has 2 hydrogen bond donor(s) and 5 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-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The CAS number of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is 429627-58-7.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular formula of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is C18H18N4O2S.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular weight of 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is 354.12 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
You can request a quote for 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.