![2-[(3-Methylbutyl)carbamoyl]phenyl acetate structure](/static/products/1011/101115-36-0.webp)
2-[(3-Methylbutyl)carbamoyl]phenyl acetate
TL;DR: 2-[(3-Methylbutyl)carbamoyl]phenyl acetate (CAS 101115-36-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methylbutylcarbamoyl)phenyl] acetate
Also Known As: 2-(isopentylcarbamoyl)phenyl acetate, [2-(3-methylbutylcarbamoyl)phenyl] acetate, 2-[(3-methylbutyl)carbamoyl]phenyl acetate, 2-[N-(3-methylbutyl)carbamoyl]phenyl acetate, 2-[(ISOPENTYLAMINO)CARBONYL]PHENYL ACETATE
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.3878 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 426.80222 |
Chemical Identifiers
| CAS Number | 101115-36-0 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC=CC=C1OC(=O)C |
Product Overview
2-[(3-Methylbutyl)carbamoyl]phenyl acetate (CAS 101115-36-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: [2-(3-methylbutylcarbamoyl)phenyl] acetate.
Chemical Property Profile of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate
Property Insights of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate
The XLogP value of 2.3878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methylbutyl)carbamoyl]phenyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(3-Methylbutyl)carbamoyl]phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Methylbutyl)carbamoyl]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 2-[(3-Methylbutyl)carbamoyl]phenyl acetate?
The CAS number of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate is 101115-36-0.
What is the molecular formula of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate?
The molecular formula of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate is C14H19NO3.
What is the molecular weight of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate?
The molecular weight of 2-[(3-Methylbutyl)carbamoyl]phenyl acetate is 249.14 g/mol.
Where can I buy 2-[(3-Methylbutyl)carbamoyl]phenyl acetate?
You can request a quote for 2-[(3-Methylbutyl)carbamoyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Methylbutyl)carbamoyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methylbutyl)carbamoyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.