(3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate
TL;DR: (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate (CAS 98991-94-7) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate
Also Known As: (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate, (3-oxo-2-prop-2-enyl-1-cyclopentenyl)methyl N-tert-butylcarbamate, [3-Oxo-2-(prop-2-en-1-yl)cyclopent-1-en-1-yl]methyl tert-butylcarbamate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 98991-94-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OCC1=C(C(=O)CC1)CC=C |
| InChIKey | RKZPJNHYWYBSHY-UHFFFAOYSA-N |
Product Overview
(3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate (CAS 98991-94-7), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: (3-oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate.
Chemical Property Profile of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate
Property Insights of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate 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 (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate?
The CAS number of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate is 98991-94-7.
What is the molecular formula of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate?
The molecular formula of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate is C14H21NO3.
What is the molecular weight of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate?
The molecular weight of (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate is 251.15 g/mol.
Where can I buy (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate?
You can request a quote for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl 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-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-2-prop-2-enylcyclopenten-1-yl)methyl N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.