Methyl 2-(methylideneamino)acetate
TL;DR: Methyl 2-(methylideneamino)acetate (CAS 39687-95-1) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methylideneamino)acetate
Also Known As: Methyl isocyanoacetate, methyl 2-(methylideneamino)acetate, Methyl N-methylideneglycinate, N-Methyleneglycine methyl ester, EINECS 254-593-8
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 79.75898 |
Chemical Identifiers
| CAS Number | 39687-95-1 |
|---|---|
| SMILES | COC(=O)CN=C |
Product Overview
Methyl 2-(methylideneamino)acetate (CAS 39687-95-1), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: methyl 2-(methylideneamino)acetate.
Chemical Property Profile of Methyl 2-(methylideneamino)acetate
Property Insights of Methyl 2-(methylideneamino)acetate
The XLogP value of -0.14 indicates that Methyl 2-(methylideneamino)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.66 Ų, Methyl 2-(methylideneamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(methylideneamino)acetate has 0 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 2-(methylideneamino)acetate?
The CAS number of Methyl 2-(methylideneamino)acetate is 39687-95-1.
What is the molecular formula of Methyl 2-(methylideneamino)acetate?
The molecular formula of Methyl 2-(methylideneamino)acetate is C4H7NO2.
What is the molecular weight of Methyl 2-(methylideneamino)acetate?
The molecular weight of Methyl 2-(methylideneamino)acetate is 101.05 g/mol.
Where can I buy Methyl 2-(methylideneamino)acetate?
You can request a quote for Methyl 2-(methylideneamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(methylideneamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methylideneamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.