Methyl cyanoformimidate
TL;DR: Methyl cyanoformimidate (CAS 13369-03-4) 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 cyanomethanimidate
Also Known As: Methyl cyanoformimidate, methyl cyanomethanimidate, Methyl carbonocyanidimidate, Carbonocyanidimidic acid methyl ester, Carbonocyanidimidicacid, methyl ester (9CI)
| Molecular Formula | C3H4N2O |
|---|---|
| Molecular Weight | 84.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.032364 |
| Heavy Atoms | 6 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 13369-03-4 |
|---|---|
| SMILES | COC(=N)C#N |
| InChIKey | YYKFOMDVFMMBGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cyanoformimidate (CAS 13369-03-4), with molecular formula C3H4N2O and molecular weight 84.03 g/mol. IUPAC: methyl cyanomethanimidate.
Chemical Property Profile of Methyl cyanoformimidate
Property Insights of Methyl cyanoformimidate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyanoformimidate. With a topological polar surface area (TPSA) of 56.9 Ų, Methyl cyanoformimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyanoformimidate has 1 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 cyanoformimidate?
The CAS number of Methyl cyanoformimidate is 13369-03-4.
What is the molecular formula of Methyl cyanoformimidate?
The molecular formula of Methyl cyanoformimidate is C3H4N2O.
What is the molecular weight of Methyl cyanoformimidate?
The molecular weight of Methyl cyanoformimidate is 84.03 g/mol.
Where can I buy Methyl cyanoformimidate?
You can request a quote for Methyl cyanoformimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyanoformimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyanoformimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.