![Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate structure](/static/products/845/84504-70-1.png)
Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
TL;DR: Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate (CAS 84504-70-1) is a chemical compound with molecular formula C14H27NO3 and molecular weight 257.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
Also Known As: NCIOpen2_002491, ethyl 4-(diisobutylamino)-4-oxobutanoate, ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate, Urea,1,1-diisobutyl-3-phenyl-2-thio, 4,6-dichloro-2-(4-propan-2-ylphenyl)benzooxazol-5-amine
| Molecular Formula | C14H27NO3 |
|---|---|
| Molecular Weight | 257.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 257.1991 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 84504-70-1 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)N(CC(C)C)CC(C)C |
| InChIKey | SKXWXVVESARSFX-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate (CAS 84504-70-1), with molecular formula C14H27NO3 and molecular weight 257.20 g/mol. IUPAC: ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
Property Insights of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate?
The CAS number of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate is 84504-70-1.
What is the molecular formula of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate is C14H27NO3.
What is the molecular weight of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate is 257.20 g/mol.
Where can I buy Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.