1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
TL;DR: 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) (CAS 94237-72-6) is a chemical compound with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
Also Known As: 1-Methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate), [1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate, (1-methyl-4,5-diphenyl-1h-pyrrole-2,3-diyl)dimethanediyl bis(methylcarbamate), (1-Methyl-4,5-diphenyl-1H-pyrrole-2,3-diyl)bis(methylene) bis(methylcarbamate), [1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-
| Molecular Formula | C23H25N3O4 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.1845 |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 94237-72-6 |
|---|---|
| SMILES | CNC(=O)OCC1=C(N(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C)COC(=O)NC |
| InChIKey | JCOSONMXLGZCKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) (CAS 94237-72-6), with molecular formula C23H25N3O4 and molecular weight 407.18 g/mol. IUPAC: [1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
Property Insights of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
The XLogP value of 3.0 indicates that 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(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 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate). Following Lipinski's Rule of Five, 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(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 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)?
The CAS number of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) is 94237-72-6.
What is the molecular formula of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)?
The molecular formula of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) is C23H25N3O4.
What is the molecular weight of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)?
The molecular weight of 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) is 407.18 g/mol.
Where can I buy 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)?
You can request a quote for 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.