rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
TL;DR: rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol (CAS 76783-60-3) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyrrolidine-3,4-diol
Also Known As: 1-benzylpyrrolidine-3,4-diol, (3R,4R)-1-Benzylpyrrolidine-3,4-diol, 1-Benzyl-pyrrolidin-3,4-diol, (3R,4S)-1-benzylpyrrolidine-3,4-diol, (3s,4s)-(+)-1-benzyl-3,4-pyrrolidindiol
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 76783-60-3 |
|---|---|
| SMILES | C1C(C(CN1CC2=CC=CC=C2)O)O |
| InChIKey | QJRIUWQPJVPYSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol (CAS 76783-60-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1-benzylpyrrolidine-3,4-diol.
Chemical Property Profile of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
Property Insights of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol. With a topological polar surface area (TPSA) of 43.7 Ų, rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol 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 rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol?
The CAS number of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol is 76783-60-3.
What is the molecular formula of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol?
The molecular formula of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol is C11H15NO2.
What is the molecular weight of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol?
The molecular weight of rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol is 193.11 g/mol.
Where can I buy rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol?
You can request a quote for rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.