[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)
TL;DR: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) (CAS 70889-30-4) is a chemical compound with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)|[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate|[1,2-Dimethyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)|1H-Pyrrole-3, 1,2-dimethyl-5-(4-nitrophenyl)-, bis(methylcarbamate) (ester)
| Molecular Formula | C18H22N4O6 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.15393 |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 70889-30-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-])COC(=O)NC)COC(=O)NC |
| InChIKey | RAGUGOASDSGTMD-UHFFFAOYSA-N |
Product Overview
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) (CAS 70889-30-4), with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol. IUPAC: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)
Property Insights of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl). Following Lipinski's Rule of Five, [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) has 2 hydrogen bond donor(s) and 6 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 [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)?
The CAS number of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) is 70889-30-4.
What is the molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)?
The molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) is C18H22N4O6.
What is the molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)?
The molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) is 390.15 g/mol.
Where can I buy [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)?
You can request a quote for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)?
Yes, KEHONG BIO provides custom synthesis services for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.