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[3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate
TL;DR: [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate (CAS 21166-58-5) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate
Also Known As: [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate|3-({[(Prop-2-en-1-yl)oxy]carbonyl}amino)phenyl tert-butylcarbamate
| Molecular Formula | C15H20N2O4 |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.1423 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 21166-58-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)OCC=C |
| InChIKey | NSPCMGYBPVNBHP-UHFFFAOYSA-N |
Product Overview
[3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate (CAS 21166-58-5), with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol. IUPAC: [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate
Property Insights of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate. Following Lipinski's Rule of Five, [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate has 2 hydrogen bond donor(s) and 4 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 [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate?
The CAS number of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate is 21166-58-5.
What is the molecular formula of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate?
The molecular formula of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate is C15H20N2O4.
What is the molecular weight of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate?
The molecular weight of [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate is 292.14 g/mol.
Where can I buy [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate?
You can request a quote for [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [3-(prop-2-enoxycarbonylamino)phenyl] N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.