Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester
TL;DR: Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester (CAS 100836-59-7) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylaminomethylideneamino)phenyl] N-methyl-N-nitrosocarbamate
Also Known As: Formelanate nitroso, Formelanatenitroso, [4-(dimethylaminomethylideneamino)phenyl] N-methyl-N-nitrosocarbamate, Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester, CARBAMIC ACID, METHYLNITROSO-, p-((DIMETHYLAMINO)METHYLENEAMINO)PHENYL ESTER
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 100836-59-7 |
|---|---|
| SMILES | CN(C)C=NC1=CC=C(C=C1)OC(=O)N(C)N=O |
| InChIKey | OLFJEWKCCYHVLE-UHFFFAOYSA-N |
Product Overview
Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester (CAS 100836-59-7), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: [4-(dimethylaminomethylideneamino)phenyl] N-methyl-N-nitrosocarbamate.
Chemical Property Profile of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester
Property Insights of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester. Following Lipinski's Rule of Five, Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester has 0 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 Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester?
The CAS number of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester is 100836-59-7.
What is the molecular formula of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester?
The molecular formula of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester is C11H14N4O3.
What is the molecular weight of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester?
The molecular weight of Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester is 250.11 g/mol.
Where can I buy Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester?
You can request a quote for Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methylnitrosocarbamic acid p-((dimethylamino)methyleneamino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.