Trehazolin
TL;DR: Trehazolin (CAS 132729-37-4) is a chemical compound with molecular formula C13H22N2O10 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
Also Known As: Trehazolin, Trehalostatin, (2Z,3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)imino-3a,5,6,6a-tetrahydro-3H-cyclopenta(d)(1,3)oxazole-4,5,6-triol, (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)amino)-3a,5,6,6a-tetrahydrocyclopenta(d)(1,3)oxazole-4,5,6-triol, (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)imino-3a,5,6,6a-tetrahydro-3H-cyclopenta(d)(1,3)oxazole-4,5,6-triol
| Molecular Formula | C13H22N2O10 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | -6.0419 |
| Topological Polar Surface Area | 204.69 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.12744 |
| Heavy Atoms | 25 |
| Complexity | 532.9391 |
Chemical Identifiers
| CAS Number | 132729-37-4 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](O2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O |
Product Overview
Trehazolin (CAS 132729-37-4), with molecular formula C13H22N2O10 and molecular weight 366.13 g/mol. IUPAC: (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol.
Chemical Property Profile of Trehazolin
Property Insights of Trehazolin
The XLogP value of -6.0419 indicates that Trehazolin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.69 Ų indicates high polarity, suggesting Trehazolin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trehazolin has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trehazolin?
The CAS number of Trehazolin is 132729-37-4.
What is the molecular formula of Trehazolin?
The molecular formula of Trehazolin is C13H22N2O10.
What is the molecular weight of Trehazolin?
The molecular weight of Trehazolin is 366.13 g/mol.
Where can I buy Trehazolin?
You can request a quote for Trehazolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trehazolin?
Yes, KEHONG BIO provides custom synthesis services for Trehazolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.