3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
TL;DR: 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- (CAS 117956-55-5) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
Also Known As: MeDAB, Methyldimethylaminoazobenzene, (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol, 3' Methyl 4 dimethylaminoazobenzene, 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 117956-55-5 |
|---|---|
| SMILES | CN1C[C@H]([C@@H]([C@H]1CO)O)O |
| InChIKey | UBVOJPDDTVFNFJ-HSUXUTPPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- (CAS 117956-55-5), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: (2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol.
Chemical Property Profile of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
Property Insights of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
The XLogP value of -1.3 indicates that 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-. Following Lipinski's Rule of Five, 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- has 3 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 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-?
The CAS number of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- is 117956-55-5.
What is the molecular formula of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-?
The molecular formula of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- is C6H13NO3.
What is the molecular weight of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-?
The molecular weight of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- is 147.09 g/mol.
Where can I buy 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-?
You can request a quote for 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.