methyl N'-nitrocarbamimidate
TL;DR: methyl N'-nitrocarbamimidate (CAS 57538-27-9) is a chemical compound with molecular formula C2H5N3O3 and molecular weight 119.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-nitrocarbamimidate
Also Known As: methyl N'-nitrocarbamimidate, (E)-N'-nitromethoxymethanimidamide
| Molecular Formula | C2H5N3O3 |
|---|---|
| Molecular Weight | 119.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.03309 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 57538-27-9 |
|---|---|
| SMILES | COC(=N[N+](=O)[O-])N |
| InChIKey | GLIKYKRDYKKEBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N'-nitrocarbamimidate (CAS 57538-27-9), with molecular formula C2H5N3O3 and molecular weight 119.03 g/mol. IUPAC: methyl N'-nitrocarbamimidate.
Chemical Property Profile of methyl N'-nitrocarbamimidate
Property Insights of methyl N'-nitrocarbamimidate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-nitrocarbamimidate. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-nitrocarbamimidate. Following Lipinski's Rule of Five, methyl N'-nitrocarbamimidate has 1 hydrogen bond donor(s) and 4 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'-nitrocarbamimidate?
The CAS number of methyl N'-nitrocarbamimidate is 57538-27-9.
What is the molecular formula of methyl N'-nitrocarbamimidate?
The molecular formula of methyl N'-nitrocarbamimidate is C2H5N3O3.
What is the molecular weight of methyl N'-nitrocarbamimidate?
The molecular weight of methyl N'-nitrocarbamimidate is 119.03 g/mol.
Where can I buy methyl N'-nitrocarbamimidate?
You can request a quote for methyl N'-nitrocarbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-nitrocarbamimidate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-nitrocarbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.