Methallyl carbamate
TL;DR: Methallyl carbamate (CAS 2114-14-9) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl carbamate
Also Known As: Methallyl carbamate, 2-methylprop-2-enyl carbamate, 2-Methylallyl carbamate, 2-Propen-1-ol,carbamate, 2-Propen-1-ol, carbamate
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 2114-14-9 |
|---|---|
| SMILES | CC(=C)COC(=O)N |
| InChIKey | MNPKKYZUEZVQNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methallyl carbamate (CAS 2114-14-9), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 2-methylprop-2-enyl carbamate.
Chemical Property Profile of Methallyl carbamate
Property Insights of Methallyl carbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methallyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Methallyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methallyl carbamate has 1 hydrogen bond donor(s) and 2 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 Methallyl carbamate?
The CAS number of Methallyl carbamate is 2114-14-9.
What is the molecular formula of Methallyl carbamate?
The molecular formula of Methallyl carbamate is C5H9NO2.
What is the molecular weight of Methallyl carbamate?
The molecular weight of Methallyl carbamate is 115.06 g/mol.
Where can I buy Methallyl carbamate?
You can request a quote for Methallyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methallyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methallyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.