(S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate
TL;DR: (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate (CAS 675602-71-8) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate
Also Known As: (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate, (S)-1-Pyrrolidin-2-(4'-hydroxybenzyl)-2-(N-Cbz-N-Methyl)amino-ethane, X-2454, benzyl N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate, (S)-Benzyl(1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.6677 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 712.0976 |
Chemical Identifiers
| CAS Number | 675602-71-8 |
|---|---|
| SMILES | CN([C@@H](CC1=CC=C(C=C1)O)CN2CCCC2)C(=O)OCC3=CC=CC=C3 |
Product Overview
(S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate (CAS 675602-71-8), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: benzyl N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate.
Chemical Property Profile of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate
Property Insights of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate
The XLogP value of 3.6677 indicates that (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.01 Ų, (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate has 1 hydrogen bond donor(s) and 4 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 (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate?
The CAS number of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate is 675602-71-8.
What is the molecular formula of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate?
The molecular formula of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate is C22H28N2O3.
What is the molecular weight of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate?
The molecular weight of (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate is 368.21 g/mol.
Where can I buy (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate?
You can request a quote for (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Benzyl (1-(4-hydroxyphenyl)-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.