Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride
TL;DR: Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride (CAS 31991-03-4) is a chemical compound with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butylpyrrolidin-1-ium-3-yl) N-(2,6-dimethylphenyl)carbamate chloride
Also Known As: N-tert-Butyl-3-pyrrolidyl 2,6-dimethylphenylcarbamate hydrochloride, 2,6-Dimethylcarbanilic acid, N-tert-butyl-3-pyrrolidinyl ester hydrochloride, N-tert-Butyl-3-pyrrolidinyl 2,6-dimethylcarbanilate hydrochloride, CARBANILIC ACID, 2,6-DIMETHYL-, N-tert-BUTYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE, (1-tert-Butylpyrrolidin-1-ium-3-yl)n-(2,6-dimethylphenyl)carbamatechloride
| Molecular Formula | C17H27ClN2O2 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | -0.69 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.17612 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 31991-03-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OC2CC[NH+](C2)C(C)(C)C.[Cl-] |
| InChIKey | JUFUNKWZCPPHFF-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride (CAS 31991-03-4), with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol. IUPAC: (1-tert-butylpyrrolidin-1-ium-3-yl) N-(2,6-dimethylphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride
Property Insights of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride
The XLogP value of -0.69 indicates that Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride has 2 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-tert-butyl-3-pyrrolidinyl ester, hydrochloride?
The CAS number of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride is 31991-03-4.
What is the molecular formula of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride?
The molecular formula of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride is C17H27ClN2O2.
What is the molecular weight of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride?
The molecular weight of Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride is 326.18 g/mol.
Where can I buy Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride?
You can request a quote for Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride 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-tert-butyl-3-pyrrolidinyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,6-dimethyl-, N-tert-butyl-3-pyrrolidinyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.