rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate
TL;DR: rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate (CAS 104485-01-0) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate
Also Known As: Trapencaine, Pentacaine, Trapencainum, Trapencaina, Pentakain
| Molecular Formula | C22H34N2O3 |
|---|---|
| Molecular Weight | 374.26 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.25696 |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 104485-01-0 |
|---|---|
| SMILES | CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2N3CCCC3 |
| InChIKey | HVYGHQWGUABUST-NHCUHLMSSA-N |
Product Overview
rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate (CAS 104485-01-0), with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol. IUPAC: [(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate.
Chemical Property Profile of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate
Property Insights of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate
The XLogP value of 5.1 indicates that rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate?
The CAS number of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate is 104485-01-0.
What is the molecular formula of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate?
The molecular formula of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate is C22H34N2O3.
What is the molecular weight of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate?
The molecular weight of rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate is 374.26 g/mol.
Where can I buy rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate?
You can request a quote for rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2R)-2-(1-Pyrrolidinyl)cyclohexyl N-(3-(pentyloxy)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.