Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester
TL;DR: Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester (CAS 33531-64-5) is a chemical compound with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Also Known As: Biguanide Nitrate, 2-Chloro-6-methylcarbanilic acid, N-methyl-3-pyrrolidinyl ester, CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-METHYL-3-PYRROLIDINYL ESTER, (1-methylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate, 2-Chloro-6-methylcarbanilic acid 1-methyl-3-pyrrolidinyl ester
| Molecular Formula | C13H17ClN2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.09787 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 33531-64-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCN(C2)C |
| InChIKey | NIQMFMMHMRRKLU-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester (CAS 33531-64-5), with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol. IUPAC: (1-methylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester
Property Insights of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, 2-chloro-6-methyl-, N-methyl-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-methyl-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-methyl-3-pyrrolidinyl ester?
The CAS number of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester is 33531-64-5.
What is the molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester?
The molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester is C13H17ClN2O2.
What is the molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester?
The molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester is 268.10 g/mol.
Where can I buy Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester?
You can request a quote for Carbanilic acid, 2-chloro-6-methyl-, N-methyl-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-methyl-3-pyrrolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-chloro-6-methyl-, N-methyl-3-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.