(1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol
TL;DR: (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol (CAS 5096-50-4) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine-1,2-diol
Also Known As: Crotanecine, (1S,2R,7aR)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizine-1,2-diol, (1s,2r,8r)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1h-pyrrolizine-1,2-diol, (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol, 7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizine-1,2-diol
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5096-50-4 |
|---|---|
| SMILES | C1C=C([C@H]2N1C[C@H]([C@H]2O)O)CO |
| InChIKey | VMWCRDCGNVMCGJ-BWZBUEFSSA-N |
Product Overview
(1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol (CAS 5096-50-4), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: (1S,2R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine-1,2-diol.
Chemical Property Profile of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol
Property Insights of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol
The XLogP value of -2.3 indicates that (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol 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 (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol. Following Lipinski's Rule of Five, (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol 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 (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol?
The CAS number of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol is 5096-50-4.
What is the molecular formula of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol?
The molecular formula of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol is C8H13NO3.
What is the molecular weight of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol?
The molecular weight of (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol is 171.09 g/mol.
Where can I buy (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol?
You can request a quote for (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.