![[5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate structure](/static/products/7088/70889-18-8.webp)
[5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
TL;DR: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate (CAS 70889-18-8) is a chemical compound with molecular formula C22H31N3O4 and molecular weight 401.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate|[5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxyme|[2-(4-tert-Butylphenyl)-1,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)|1H-Pyrrole-3, 2-[4-(1,1-dimethylethyl)phenyl]-1,5-dimethyl-, bis(methylcarbamate) (ester)|1H-Pyrrole-3,4-dimethanol, 2-[4-(1,1-dimethylethyl)phenyl]-1,5-dimethyl-,bis(methylcarbamate)(ester)
| Molecular Formula | C22H31N3O4 |
|---|---|
| Molecular Weight | 401.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.23145 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 70889-18-8 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)C(C)(C)C)COC(=O)NC)COC(=O)NC |
| InChIKey | CKVOTMCDRSXHIT-UHFFFAOYSA-N |
Product Overview
[5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate (CAS 70889-18-8), with molecular formula C22H31N3O4 and molecular weight 401.23 g/mol. IUPAC: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Property Insights of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
The XLogP value of 3.4 indicates that [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate. Following Lipinski's Rule of Five, [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate has 2 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 [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The CAS number of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is 70889-18-8.
What is the molecular formula of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The molecular formula of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is C22H31N3O4.
What is the molecular weight of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The molecular weight of [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is 401.23 g/mol.
Where can I buy [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
You can request a quote for [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.