3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea
TL;DR: 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea (CAS 57470-96-9) is a chemical compound with molecular formula C18H29N3O4 and molecular weight 351.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-ethylurea
Also Known As: 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea, 3-(3-Acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)-1-ethylurea, N'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N-ethylurea, Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N-ethyl-, 1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-ethylurea
| Molecular Formula | C18H29N3O4 |
|---|---|
| Molecular Weight | 351.22 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.21582 |
| Heavy Atoms | 25 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 57470-96-9 |
|---|---|
| SMILES | CCNC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C |
| InChIKey | ISAGWVHNBWLXLM-UHFFFAOYSA-N |
Product Overview
3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea (CAS 57470-96-9), with molecular formula C18H29N3O4 and molecular weight 351.22 g/mol. IUPAC: 1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-ethylurea.
Chemical Property Profile of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea
Property Insights of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea. Following Lipinski's Rule of Five, 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea 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 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea?
The CAS number of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea is 57470-96-9.
What is the molecular formula of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea?
The molecular formula of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea is C18H29N3O4.
What is the molecular weight of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea?
The molecular weight of 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea is 351.22 g/mol.
Where can I buy 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea?
You can request a quote for 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1-ethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.