![1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea structure](/static/products/496/496772-96-4.png)
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
TL;DR: 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 496772-96-4) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea, 1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 496772-96-4 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)NC2=CC=CC=C2OC |
| InChIKey | CXGSHGMRWYQWIS-UHFFFAOYSA-N |
Product Overview
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 496772-96-4), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: 1-(2-methoxyphenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Property Insights of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea. Following Lipinski's Rule of Five, 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]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-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The CAS number of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is 496772-96-4.
What is the molecular formula of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular formula of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is C13H16N4O2S.
What is the molecular weight of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular weight of 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is 292.10 g/mol.
Where can I buy 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
You can request a quote for 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.