Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester
TL;DR: Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester (CAS 31755-12-1) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-propan-2-ylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate
Also Known As: N-Isopropyl-3-pyrrolidyl 2,6-dimethylphenylcarbamate, N-Isopropyl-3-pyrrolidinyl 2,6-dimethylcarbanilate, 2,6-Dimethylcarbanilic acid, N-isopropyl-3-pyrrolidinyl ester, CARBANILIC ACID, 2,6-DIMETHYL-, N-ISOPROPYL-3-PYRROLIDINYL ESTER, (1-propan-2-ylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 31755-12-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OC2CCN(C2)C(C)C |
| InChIKey | CEQUUCYPMIWLLU-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester (CAS 31755-12-1), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: (1-propan-2-ylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester
Property Insights of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester
The XLogP value of 3.3 indicates that Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl 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, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester?
The CAS number of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester is 31755-12-1.
What is the molecular formula of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester?
The molecular formula of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester is C16H24N2O2.
What is the molecular weight of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester?
The molecular weight of Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester is 276.18 g/mol.
Where can I buy Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester?
You can request a quote for Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl 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, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,6-dimethyl-, N-isopropyl-3-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.