Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate
TL;DR: Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate (CAS 922951-36-8) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamate
Also Known As: VU0421845-2, F2783-0584, 3-(2-oxo-1-pyrrolidinyl)-4-tolyl methanecarbamate, methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate, methyl N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamate
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.30012 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 485.12476 |
Chemical Identifiers
| CAS Number | 922951-36-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC)N2CCCC2=O |
Product Overview
Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate (CAS 922951-36-8), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: methyl N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamate.
Chemical Property Profile of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate
Property Insights of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate
The XLogP value of 2.30012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate has 1 hydrogen bond donor(s) and 3 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 Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate?
The CAS number of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate is 922951-36-8.
What is the molecular formula of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate?
The molecular formula of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate is C13H16N2O3.
What is the molecular weight of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate?
The molecular weight of Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate is 248.12 g/mol.
Where can I buy Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate?
You can request a quote for Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.