3-Hydroxypyrrolidine
TL;DR: 3-Hydroxypyrrolidine (CAS 78774-26-2) is a chemical compound with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,3bS,5aR,7R,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
Also Known As: 3-Hydroxypyrrolidine, RU 5135, 3-Hydroxy-16-imino-17-azaandrostan-11-one, KST-1A8445, R 5135
| Molecular Formula | C18H28N2O2 |
|---|---|
| Molecular Weight | 304.22 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.2151 |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 78774-26-2 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC(=N4)N)C)O |
| InChIKey | LLAKESJIQFAQJA-NJYPJRCCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxypyrrolidine (CAS 78774-26-2), with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol. IUPAC: (3aS,3bS,5aR,7R,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one.
Chemical Property Profile of 3-Hydroxypyrrolidine
Property Insights of 3-Hydroxypyrrolidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxypyrrolidine. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxypyrrolidine. Following Lipinski's Rule of Five, 3-Hydroxypyrrolidine 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 3-Hydroxypyrrolidine?
The CAS number of 3-Hydroxypyrrolidine is 78774-26-2.
What is the molecular formula of 3-Hydroxypyrrolidine?
The molecular formula of 3-Hydroxypyrrolidine is C18H28N2O2.
What is the molecular weight of 3-Hydroxypyrrolidine?
The molecular weight of 3-Hydroxypyrrolidine is 304.22 g/mol.
Where can I buy 3-Hydroxypyrrolidine?
You can request a quote for 3-Hydroxypyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.