![1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea structure](/static/products/426/426248-02-4.webp)
1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
TL;DR: 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 426248-02-4) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.15692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea, 1-(2-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, N-{5-[(2-isopropyl-5-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea
Technical Specifications
| Molecular Formula | C21H24N4O3S |
| Molecular Weight | 412.15692 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.15692 Da |
| Heavy Atoms | 29 |
| Complexity | 524.0 |
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC |
| InChIKey | CAJQXSZYFXFQFB-UHFFFAOYSA-N |
Product Description
Applications: AC1LPOOB is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1LPOOB (CAS 426248-02-4) is a fine chemical with the molecular formula C21H24N4O3S and a molecular weight of 412.16 g/mol. Synonyms include 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea and 1-(2-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
Property Insights of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
The XLogP value of 4.2 indicates that 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea. Following Lipinski's Rule of Five, 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]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
What is the CAS number of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The CAS number of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea is 426248-02-4.
What is the molecular formula of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular formula of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea is C21H24N4O3S.
What is the molecular weight of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular weight of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea is 412.15692 g/mol.
What are the applications of 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
AC1LPOOB is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
You can request a quote for 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea?
Yes, CoreyChem provides custom synthesis services for 1-(2-methoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.