Methyl 3-amino-N-cyano-3-methoxyacrylimidate
TL;DR: Methyl 3-amino-N-cyano-3-methoxyacrylimidate (CAS 77087-96-8) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-amino-N-cyano-3-methoxyprop-2-enimidate
Also Known As: EINECS 278-615-0, Methyl 3-amino-N-cyano-3-methoxyacrylimidate, methyl3-amino-N-cyano-3-methoxyacrylimidate, methyl 3-amino-N-cyano-3-methoxyprop-2-enimidate, methyl (E)-3-amino-N-cyano-3-methoxyprop-2-enimidate
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | -0.04112 |
| Topological Polar Surface Area | 80.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 214.35751 |
Chemical Identifiers
| CAS Number | 77087-96-8 |
|---|---|
| SMILES | CO/C(=C/C(=NC#N)OC)/N |
Product Overview
Methyl 3-amino-N-cyano-3-methoxyacrylimidate (CAS 77087-96-8), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: methyl (E)-3-amino-N-cyano-3-methoxyprop-2-enimidate.
Chemical Property Profile of Methyl 3-amino-N-cyano-3-methoxyacrylimidate
Property Insights of Methyl 3-amino-N-cyano-3-methoxyacrylimidate
The XLogP value of -0.04112 indicates that Methyl 3-amino-N-cyano-3-methoxyacrylimidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-N-cyano-3-methoxyacrylimidate. Following Lipinski's Rule of Five, Methyl 3-amino-N-cyano-3-methoxyacrylimidate has 1 hydrogen bond donor(s) and 5 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 3-amino-N-cyano-3-methoxyacrylimidate?
The CAS number of Methyl 3-amino-N-cyano-3-methoxyacrylimidate is 77087-96-8.
What is the molecular formula of Methyl 3-amino-N-cyano-3-methoxyacrylimidate?
The molecular formula of Methyl 3-amino-N-cyano-3-methoxyacrylimidate is C6H9N3O2.
What is the molecular weight of Methyl 3-amino-N-cyano-3-methoxyacrylimidate?
The molecular weight of Methyl 3-amino-N-cyano-3-methoxyacrylimidate is 155.07 g/mol.
Where can I buy Methyl 3-amino-N-cyano-3-methoxyacrylimidate?
You can request a quote for Methyl 3-amino-N-cyano-3-methoxyacrylimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-N-cyano-3-methoxyacrylimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-N-cyano-3-methoxyacrylimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.