4-(Butylcarbamoyl)phenyl acetate
TL;DR: 4-(Butylcarbamoyl)phenyl acetate (CAS 92041-47-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(butylcarbamoyl)phenyl] acetate
Also Known As: 4-(butylcarbamoyl)phenyl acetate, 4-(N-butylcarbamoyl)phenyl acetate, [4-(butylcarbamoyl)phenyl] acetate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.1418 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 384.15598 |
Chemical Identifiers
| CAS Number | 92041-47-9 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC=C(C=C1)OC(=O)C |
Product Overview
4-(Butylcarbamoyl)phenyl acetate (CAS 92041-47-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: [4-(butylcarbamoyl)phenyl] acetate.
Chemical Property Profile of 4-(Butylcarbamoyl)phenyl acetate
Property Insights of 4-(Butylcarbamoyl)phenyl acetate
The XLogP value of 2.1418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butylcarbamoyl)phenyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(Butylcarbamoyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Butylcarbamoyl)phenyl 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-(Butylcarbamoyl)phenyl acetate?
The CAS number of 4-(Butylcarbamoyl)phenyl acetate is 92041-47-9.
What is the molecular formula of 4-(Butylcarbamoyl)phenyl acetate?
The molecular formula of 4-(Butylcarbamoyl)phenyl acetate is C13H17NO3.
What is the molecular weight of 4-(Butylcarbamoyl)phenyl acetate?
The molecular weight of 4-(Butylcarbamoyl)phenyl acetate is 235.12 g/mol.
Where can I buy 4-(Butylcarbamoyl)phenyl acetate?
You can request a quote for 4-(Butylcarbamoyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylcarbamoyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylcarbamoyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.