Atiglai
TL;DR: Atiglai (CAS 131432-97-8) is a chemical compound with molecular formula C21H34F3N5O11 and molecular weight 589.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-[[(2R)-2-[(3R,4R,5S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Also Known As: Atiglai, 5-Amino-2-methoxy-tetrahydro-pyran-3,4-diol, N-(2-O-(2-Acetamido-1,2,3,5-tetradeoxy-1,5-iminoglucitol-3-yl)lactoyl)alanyl-isoglutamine, N-(2-O-(2-Acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl)-L-alanyl-D-isoglutamine, (2R-(2alpha,3beta,4alpha(R*),5beta))-N2-(N-(2-((5-(Acetylamino)-3-hydroxy-2-(hydroxymethyl)-4-piperidinyl)oxy)-1-oxopropyl)-L-alanyl)-D-alpha-glutamine
| Molecular Formula | C21H34F3N5O11 |
|---|---|
| Molecular Weight | 589.22 g/mol |
| LogP | -3.4373 |
| Topological Polar Surface Area | 266.71 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 589.2207 |
| Heavy Atoms | 40 |
| Complexity | 921.1796 |
Chemical Identifiers
| CAS Number | 131432-97-8 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H](CNC([C@H]1O)CO)NC(=O)C.C(=O)(C(F)(F)F)O |
Product Overview
Atiglai (CAS 131432-97-8), with molecular formula C21H34F3N5O11 and molecular weight 589.22 g/mol. IUPAC: (2R)-2-[[(2S)-2-[[(2R)-2-[(3R,4R,5S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Atiglai
Property Insights of Atiglai
The XLogP value of -3.4373 indicates that Atiglai is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.71 Ų indicates high polarity, suggesting Atiglai may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atiglai has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atiglai?
The CAS number of Atiglai is 131432-97-8.
What is the molecular formula of Atiglai?
The molecular formula of Atiglai is C21H34F3N5O11.
What is the molecular weight of Atiglai?
The molecular weight of Atiglai is 589.22 g/mol.
Where can I buy Atiglai?
You can request a quote for Atiglai directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atiglai?
Yes, KEHONG BIO provides custom synthesis services for Atiglai and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.