Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester
TL;DR: Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester (CAS 31772-85-7) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-propylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Also Known As: N-Propyl-3-pyrrolidyl 2-chloro-6-methylphenylcarbamate, 2-Chloro-6-methylcarbanilic acid, N-propyl-3-pyrrolidinyl ester, CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-PROPYL-3-PYRROLIDINYL ESTER, (1-propylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate, 1-Propylpyrrolidin-3-yl (2-chloro-6-methylphenyl)carbamate
| Molecular Formula | C15H21ClN2O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.12915 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 31772-85-7 |
|---|---|
| SMILES | CCCN1CCC(C1)OC(=O)NC2=C(C=CC=C2Cl)C |
| InChIKey | XZNWXEXXXURADS-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester (CAS 31772-85-7), with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol. IUPAC: (1-propylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester
Property Insights of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester
The XLogP value of 3.6 indicates that Carbanilic acid, 2-chloro-6-methyl-, N-propyl-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-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2-chloro-6-methyl-, N-propyl-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-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester?
The CAS number of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester is 31772-85-7.
What is the molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester?
The molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester is C15H21ClN2O2.
What is the molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester?
The molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester is 296.13 g/mol.
Where can I buy Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester?
You can request a quote for Carbanilic acid, 2-chloro-6-methyl-, N-propyl-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-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-chloro-6-methyl-, N-propyl-3-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.