[5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)
TL;DR: [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) (CAS 70889-31-5) is a chemical compound with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)|[5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate|[2-(4-Aminophenyl)-1,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)|1H-Pyrrole-3, 2-(4-aminophenyl)-1,5-dimethyl-, bis(methylcarbamate) (ester)
| Molecular Formula | C18H24N4O4 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.17975 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 70889-31-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)N)COC(=O)NC)COC(=O)NC |
| InChIKey | VAQKYXJKRPRYBW-UHFFFAOYSA-N |
Product Overview
[5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) (CAS 70889-31-5), with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol. IUPAC: [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)
Property Insights of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl). The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl). Following Lipinski's Rule of Five, [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) has 3 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 [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)?
The CAS number of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) is 70889-31-5.
What is the molecular formula of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)?
The molecular formula of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) is C18H24N4O4.
What is the molecular weight of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)?
The molecular weight of [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) is 360.18 g/mol.
Where can I buy [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)?
You can request a quote for [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-aminophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.