3-Methylbut-2-enyl carbamate
TL;DR: 3-Methylbut-2-enyl carbamate (CAS 36883-22-4) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl carbamate
Also Known As: prenyl carbamate, 3-methylbut-2-enyl carbamate, 3-Methylbut-2-en-1-yl carbamate, RefChem:281067
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 36883-22-4 |
|---|---|
| SMILES | CC(=CCOC(=O)N)C |
| InChIKey | NRHIJLHWYJFFSK-UHFFFAOYSA-N |
Product Overview
3-Methylbut-2-enyl carbamate (CAS 36883-22-4), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: 3-methylbut-2-enyl carbamate.
Chemical Property Profile of 3-Methylbut-2-enyl carbamate
Property Insights of 3-Methylbut-2-enyl carbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-2-enyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 3-Methylbut-2-enyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-enyl 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 3-Methylbut-2-enyl carbamate?
The CAS number of 3-Methylbut-2-enyl carbamate is 36883-22-4.
What is the molecular formula of 3-Methylbut-2-enyl carbamate?
The molecular formula of 3-Methylbut-2-enyl carbamate is C6H11NO2.
What is the molecular weight of 3-Methylbut-2-enyl carbamate?
The molecular weight of 3-Methylbut-2-enyl carbamate is 129.08 g/mol.
Where can I buy 3-Methylbut-2-enyl carbamate?
You can request a quote for 3-Methylbut-2-enyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-2-enyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-2-enyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.