N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
TL;DR: N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea (CAS 51461-71-3) is a chemical compound with molecular formula C12H22N4O3S and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethoxyethyl)-1-methylurea
Also Known As: 1- -1-methyl-3- urea, VEL 3510, J1.619.771H, N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea, 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethoxyethyl)-1-methylurea
| Molecular Formula | C12H22N4O3S |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.14127 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 51461-71-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)NC(=O)N(C)CC(OC)OC |
| InChIKey | JEBBYIJCXLFPCX-UHFFFAOYSA-N |
Product Overview
N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea (CAS 51461-71-3), with molecular formula C12H22N4O3S and molecular weight 302.14 g/mol. IUPAC: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethoxyethyl)-1-methylurea.
Chemical Property Profile of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
Property Insights of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea. Following Lipinski's Rule of Five, N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea 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-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea?
The CAS number of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea is 51461-71-3.
What is the molecular formula of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea?
The molecular formula of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea is C12H22N4O3S.
What is the molecular weight of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea?
The molecular weight of N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea is 302.14 g/mol.
Where can I buy N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea?
You can request a quote for N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.