Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate
TL;DR: Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate (CAS 145275-70-3) is a chemical compound with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-amino-1-oxopent-4-en-2-yl)carbamate
Also Known As: Methyl N-(1-carbamoylbut-3-enyl)carbamate, Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate, methyl N-(1-amino-1-oxopent-4-en-2-yl)carbamate, Carbamic acid, [1-(aminocarbonyl)-3-butenyl]-, methyl ester (9CI), Carbamic acid, [1-(aminocarbonyl)-3-butenyl]-, methyl ester (9CI)
| Molecular Formula | C7H12N2O3 |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | -0.2276 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 191.09052 |
Chemical Identifiers
| CAS Number | 145275-70-3 |
|---|---|
| SMILES | COC(=O)NC(CC=C)C(=O)N |
Product Overview
Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate (CAS 145275-70-3), with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol. IUPAC: methyl N-(1-amino-1-oxopent-4-en-2-yl)carbamate.
Chemical Property Profile of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate
Property Insights of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate
The XLogP value of -0.2276 indicates that Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate. Following Lipinski's Rule of Five, Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate has 2 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 Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate?
The CAS number of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate is 145275-70-3.
What is the molecular formula of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate?
The molecular formula of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate is C7H12N2O3.
What is the molecular weight of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate?
The molecular weight of Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate is 172.08 g/mol.
Where can I buy Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate?
You can request a quote for Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1-amino-1-oxopent-4-en-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.