N-Cyanomethanimidic methyl ester
TL;DR: N-Cyanomethanimidic methyl ester (CAS 51688-22-3) is a chemical compound with molecular formula C3H4N2O and molecular weight 84.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyanomethanimidate
Also Known As: methyl N-cyanomethanimidate, N-CYANOMETHANIMIDIC METHYL ESTER, methyl cyanomethanimidate, Methoxymethylidenecyanamide, (E)-methyl N-cyanoformimidate
| Molecular Formula | C3H4N2O |
|---|---|
| Molecular Weight | 84.03 g/mol |
| LogP | 0.14218 |
| Topological Polar Surface Area | 45.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.032364 |
| Heavy Atoms | 6 |
| Complexity | 81.28421 |
Chemical Identifiers
| CAS Number | 51688-22-3 |
|---|---|
| SMILES | COC=NC#N |
Product Overview
N-Cyanomethanimidic methyl ester (CAS 51688-22-3), with molecular formula C3H4N2O and molecular weight 84.03 g/mol. IUPAC: methyl N-cyanomethanimidate.
Chemical Property Profile of N-Cyanomethanimidic methyl ester
Property Insights of N-Cyanomethanimidic methyl ester
The XLogP value of 0.14218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyanomethanimidic methyl ester. With a topological polar surface area (TPSA) of 45.38 Ų, N-Cyanomethanimidic methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyanomethanimidic methyl ester 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 N-Cyanomethanimidic methyl ester?
The CAS number of N-Cyanomethanimidic methyl ester is 51688-22-3.
What is the molecular formula of N-Cyanomethanimidic methyl ester?
The molecular formula of N-Cyanomethanimidic methyl ester is C3H4N2O.
What is the molecular weight of N-Cyanomethanimidic methyl ester?
The molecular weight of N-Cyanomethanimidic methyl ester is 84.03 g/mol.
Where can I buy N-Cyanomethanimidic methyl ester?
You can request a quote for N-Cyanomethanimidic methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyanomethanimidic methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Cyanomethanimidic methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.