![N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester structure](/static/products/1778/17788-86-2.webp)
N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
TL;DR: N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester (CAS 17788-86-2) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(but-2-enoylamino)phenyl] N-propan-2-ylcarbamate
Also Known As: m-Crotonamidophenyl isopropylcarbamate, [3-(But-2-enoylamino)phenyl]n-propan-2-ylcarbamate, [3-(but-2-enoylamino)phenyl] N-propan-2-ylcarbamate, CROTONANILIDE, m-HYDROXY-, ISOPROPYLCARBAMATE (ester), [3-[[(E)-but-2-enoyl]amino]phenyl] N-propan-2-ylcarbamate
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 17788-86-2 |
|---|---|
| SMILES | CC=CC(=O)NC1=CC(=CC=C1)OC(=O)NC(C)C |
| InChIKey | JFGQTRRCWGNSKV-UHFFFAOYSA-N |
Product Overview
N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester (CAS 17788-86-2), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: [3-(but-2-enoylamino)phenyl] N-propan-2-ylcarbamate.
Chemical Property Profile of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
Property Insights of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester. Following Lipinski's Rule of Five, N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester has 2 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 N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester?
The CAS number of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester is 17788-86-2.
What is the molecular formula of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester?
The molecular formula of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester is C14H18N2O3.
What is the molecular weight of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester?
The molecular weight of N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester is 262.13 g/mol.
Where can I buy N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester?
You can request a quote for N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.