1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea
TL;DR: 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea (CAS 56980-97-3) is a chemical compound with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
Also Known As: 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea, Urea, (3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea, [3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea, 1-[3-acetyl-4-[3-(t-butylamino)-2-hydroxypropoxy] phenyl]urea
| Molecular Formula | C16H25N3O4 |
|---|---|
| Molecular Weight | 323.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.1845 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 56980-97-3 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)N)OCC(CNC(C)(C)C)O |
| InChIKey | JEQPRXXJGYCINZ-UHFFFAOYSA-N |
Product Overview
1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea (CAS 56980-97-3), with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol. IUPAC: [3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea.
Chemical Property Profile of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea
Property Insights of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea. Following Lipinski's Rule of Five, 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea has 4 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-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea?
The CAS number of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea is 56980-97-3.
What is the molecular formula of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea?
The molecular formula of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea is C16H25N3O4.
What is the molecular weight of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea?
The molecular weight of 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea is 323.18 g/mol.
Where can I buy 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea?
You can request a quote for 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)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-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.