4-Acetamido-2-methylbutyl acetate
TL;DR: 4-Acetamido-2-methylbutyl acetate (CAS 404849-97-4) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamido-2-methylbutyl) acetate
Also Known As: 4-Acetamido-2-methylbutyl acetate, (4-acetamido-2-methylbutyl)acetate, 1,2-Propanedithiol,3-(phenylamino), (4-acetamido-2-methyl-butyl) Acetate, Acetamide, N-[4-(acetyloxy)-3-methylbutyl]-
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.7118 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 179.69862 |
Chemical Identifiers
| CAS Number | 404849-97-4 |
|---|---|
| SMILES | CC(CCNC(=O)C)COC(=O)C |
Product Overview
4-Acetamido-2-methylbutyl acetate (CAS 404849-97-4), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: (4-acetamido-2-methylbutyl) acetate.
Chemical Property Profile of 4-Acetamido-2-methylbutyl acetate
Property Insights of 4-Acetamido-2-methylbutyl acetate
The XLogP value of 0.7118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-2-methylbutyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Acetamido-2-methylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamido-2-methylbutyl acetate has 1 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 4-Acetamido-2-methylbutyl acetate?
The CAS number of 4-Acetamido-2-methylbutyl acetate is 404849-97-4.
What is the molecular formula of 4-Acetamido-2-methylbutyl acetate?
The molecular formula of 4-Acetamido-2-methylbutyl acetate is C9H17NO3.
What is the molecular weight of 4-Acetamido-2-methylbutyl acetate?
The molecular weight of 4-Acetamido-2-methylbutyl acetate is 187.12 g/mol.
Where can I buy 4-Acetamido-2-methylbutyl acetate?
You can request a quote for 4-Acetamido-2-methylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-2-methylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-2-methylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.