1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate
TL;DR: 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate (CAS 33472-72-9) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
Also Known As: o-Methylcarbanilic acid, N-methyl-3-pyrrolidinyl ester, o-Methylcarbanilicacid1-methyl-3-pyrrolidinylester, 5-21-01-00014 (Beilstein Handbook Reference), (1-methylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate, 1-methylpyrrolidin-3-yl N-(2-methylphenyl)carbamate
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 33472-72-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)OC2CCN(C2)C |
| InChIKey | DTAAMVZDTXCCDV-UHFFFAOYSA-N |
Product Overview
1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate (CAS 33472-72-9), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: (1-methylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate.
Chemical Property Profile of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate
Property Insights of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate. With a topological polar surface area (TPSA) of 41.6 Ų, 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate 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 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate?
The CAS number of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate is 33472-72-9.
What is the molecular formula of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate?
The molecular formula of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate is C13H18N2O2.
What is the molecular weight of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate?
The molecular weight of 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate is 234.14 g/mol.
Where can I buy 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate?
You can request a quote for 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.