methyl N-carbamoylcarbamate
TL;DR: methyl N-carbamoylcarbamate (CAS 761-89-7) is a chemical compound with molecular formula C3H6N2O3 and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-carbamoylcarbamate
Also Known As: Methyl allophanate, methyl N-carbamoylcarbamate, Carbomethoxyurea, allophanic acid methyl ester, methylallophanate
| Molecular Formula | C3H6N2O3 |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.03784 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 761-89-7 |
|---|---|
| SMILES | COC(=O)NC(=O)N |
| InChIKey | ICYIIEFSHYSYRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N-carbamoylcarbamate (CAS 761-89-7), with molecular formula C3H6N2O3 and molecular weight 118.04 g/mol. IUPAC: methyl N-carbamoylcarbamate.
Chemical Property Profile of methyl N-carbamoylcarbamate
Property Insights of methyl N-carbamoylcarbamate
The XLogP value of -0.3 indicates that methyl N-carbamoylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-carbamoylcarbamate. Following Lipinski's Rule of Five, methyl N-carbamoylcarbamate 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 N-carbamoylcarbamate?
The CAS number of methyl N-carbamoylcarbamate is 761-89-7.
What is the molecular formula of methyl N-carbamoylcarbamate?
The molecular formula of methyl N-carbamoylcarbamate is C3H6N2O3.
What is the molecular weight of methyl N-carbamoylcarbamate?
The molecular weight of methyl N-carbamoylcarbamate is 118.04 g/mol.
Where can I buy methyl N-carbamoylcarbamate?
You can request a quote for methyl N-carbamoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-carbamoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-carbamoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.