Butyl (1-oxoallyl)carbamate
TL;DR: Butyl (1-oxoallyl)carbamate (CAS 64641-87-8) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-prop-2-enoylcarbamate
Also Known As: Butyl carbamate, Butyl (1-oxoallyl)carbamate, Butyl acryloylcarbamate, ButylN-acryloylcarbamate, butyl N-prop-2-enoylcarbamate
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 1.2253 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 177.14178 |
Chemical Identifiers
| CAS Number | 64641-87-8 |
|---|---|
| SMILES | CCCCOC(=O)NC(=O)C=C |
Product Overview
Butyl (1-oxoallyl)carbamate (CAS 64641-87-8), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: butyl N-prop-2-enoylcarbamate.
Chemical Property Profile of Butyl (1-oxoallyl)carbamate
Property Insights of Butyl (1-oxoallyl)carbamate
The XLogP value of 1.2253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (1-oxoallyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl (1-oxoallyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (1-oxoallyl)carbamate 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 Butyl (1-oxoallyl)carbamate?
The CAS number of Butyl (1-oxoallyl)carbamate is 64641-87-8.
What is the molecular formula of Butyl (1-oxoallyl)carbamate?
The molecular formula of Butyl (1-oxoallyl)carbamate is C8H13NO3.
What is the molecular weight of Butyl (1-oxoallyl)carbamate?
The molecular weight of Butyl (1-oxoallyl)carbamate is 171.09 g/mol.
Where can I buy Butyl (1-oxoallyl)carbamate?
You can request a quote for Butyl (1-oxoallyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (1-oxoallyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (1-oxoallyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.