Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester
TL;DR: Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester (CAS 31755-08-5) is a chemical compound with molecular formula C16H23ClN2O2 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Also Known As: N- carbamicacid1-tert-butyl-3-pyrrolidinylester, N-tert-Butyl-3-pyrrolidinyl 2-chloro-6-methylcarbanilate, N-tert-Butyl-3-pyrrolidyl 2-chloro-6-methylphenylcarbamate, 2-Chloro-6-methylcarbanilic acid, N-tert-butyl-3-pyrrolidinyl ester, CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-tert-BUTYL-3-PYRROLIDINYL ESTER
| Molecular Formula | C16H23ClN2O2 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.1448 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 31755-08-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCN(C2)C(C)(C)C |
| InChIKey | HZPVYVIKZIPUDA-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester (CAS 31755-08-5), with molecular formula C16H23ClN2O2 and molecular weight 310.14 g/mol. IUPAC: (1-tert-butylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester
Property Insights of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester
The XLogP value of 3.7 indicates that Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-3-pyrrolidinyl ester?
The CAS number of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester is 31755-08-5.
What is the molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester?
The molecular formula of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester is C16H23ClN2O2.
What is the molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester?
The molecular weight of Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester is 310.14 g/mol.
Where can I buy Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester?
You can request a quote for Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-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-tert-butyl-3-pyrrolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.