Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester
TL;DR: Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester (CAS 20930-79-4) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
Also Known As: o-Methylcarbanilic acid (1-methyl-3-pyrrolidinyl)methyl ester, CARBANILIC ACID, o-METHYL-, (1-METHYL-3-PYRROLIDINYL)METHYL ESTER, (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate, (1-Methylpyrrolidin-3-yl)methyl hydrogen (2-methylphenyl)carbonimidate, RefChem:1081118
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 20930-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)OCC2CCN(C2)C |
| InChIKey | NYOAGFLQMZLAFC-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester (CAS 20930-79-4), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester
Property Insights of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester 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 Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester?
The CAS number of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester is 20930-79-4.
What is the molecular formula of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester?
The molecular formula of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester is C14H20N2O2.
What is the molecular weight of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester?
The molecular weight of Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester is 248.15 g/mol.
Where can I buy Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester?
You can request a quote for Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-methyl-, (1-methyl-3-pyrrolidinyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.