3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide
TL;DR: 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide (CAS 154807-49-5) is a chemical compound with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[3-methyl-4-(morpholine-4-carbonyl)-1,2-thiazol-5-yl]urea
Also Known As: 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide, Morpholine, 4-((5-(((butylamino)carbonyl)amino)-3-methyl-4-isothiazolyl)carbonyl)-, 4-((5-(((Butylamino)carbonyl)amino)-3-methyl-4-isothiazolyl)carbonyl)morpholine, N-Butyl-N -[3-methyl-4-(morpholinocarbonyl)isothiazol-5-yl]urea, 1-butyl-3-[3-methyl-4-(morpholine-4-carbonyl)-1,2-thiazol-5-yl]urea
| Molecular Formula | C14H22N4O3S |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.84552 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.14127 |
| Heavy Atoms | 22 |
| Complexity | 526.15765 |
Chemical Identifiers
| CAS Number | 154807-49-5 |
|---|---|
| SMILES | CCCCNC(=O)NC1=C(C(=NS1)C)C(=O)N2CCOCC2 |
Product Overview
3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide (CAS 154807-49-5), with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol. IUPAC: 1-butyl-3-[3-methyl-4-(morpholine-4-carbonyl)-1,2-thiazol-5-yl]urea.
Chemical Property Profile of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide
Property Insights of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide
The XLogP value of 1.84552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide. Following Lipinski's Rule of Five, 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide 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 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide?
The CAS number of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide is 154807-49-5.
What is the molecular formula of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide?
The molecular formula of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide is C14H22N4O3S.
What is the molecular weight of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide?
The molecular weight of 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide is 326.14 g/mol.
Where can I buy 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide?
You can request a quote for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-n-butylureidoisothiazole-4-carboxylic acid morpholide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.