![[5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate structure](/static/products/7088/70889-22-4.webp)
[5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
TL;DR: [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate (CAS 70889-22-4) is a chemical compound with molecular formula C18H22BrN3O4 and molecular weight 423.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate|[2-(4-Bromophenyl)-1,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)|1H-Pyrrole-3, 2-(4-bromophenyl)-1,5-dimethyl-, bis(methylcarbamate) (ester)
| Molecular Formula | C18H22BrN3O4 |
|---|---|
| Molecular Weight | 423.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.07938 |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 70889-22-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)Br)COC(=O)NC)COC(=O)NC |
| InChIKey | IKTNSJSAPNLXLV-UHFFFAOYSA-N |
Product Overview
[5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate (CAS 70889-22-4), with molecular formula C18H22BrN3O4 and molecular weight 423.08 g/mol. IUPAC: [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Property Insights of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate. Following Lipinski's Rule of Five, [5-(4-bromophenyl)-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-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The CAS number of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is 70889-22-4.
What is the molecular formula of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The molecular formula of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is C18H22BrN3O4.
What is the molecular weight of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
The molecular weight of [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate is 423.08 g/mol.
Where can I buy [5-(4-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
You can request a quote for [5-(4-bromophenyl)-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-bromophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-bromophenyl)-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.