Atgaaam
TL;DR: Atgaaam (CAS 125316-77-0) is a chemical compound with molecular formula C21H36N4O11 and molecular weight 520.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoyl]amino]propanoate
Also Known As: Atgaaam, O-Desmethyl Adapalene, 3-O-(2-Acetamido-2-deoxygalactopyranosyl)-acetyl-threonyl-alanyl-alanine methyl ester, methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoyl]amino]propanoate, N-(N-(N-Acetyl-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-L-threonyl)-L-alanyl)-L-alanine methyl ester
| Molecular Formula | C21H36N4O11 |
|---|---|
| Molecular Weight | 520.24 g/mol |
| LogP | -3.9777 |
| Topological Polar Surface Area | 221.85 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 520.23804 |
| Heavy Atoms | 36 |
| Complexity | 810.7327 |
Chemical Identifiers
| CAS Number | 125316-77-0 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)NC(=O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C |
Product Overview
Atgaaam (CAS 125316-77-0), with molecular formula C21H36N4O11 and molecular weight 520.24 g/mol. IUPAC: methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoyl]amino]propanoate.
Chemical Property Profile of Atgaaam
Property Insights of Atgaaam
The XLogP value of -3.9777 indicates that Atgaaam is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.85 Ų indicates high polarity, suggesting Atgaaam may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atgaaam has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atgaaam?
The CAS number of Atgaaam is 125316-77-0.
What is the molecular formula of Atgaaam?
The molecular formula of Atgaaam is C21H36N4O11.
What is the molecular weight of Atgaaam?
The molecular weight of Atgaaam is 520.24 g/mol.
Where can I buy Atgaaam?
You can request a quote for Atgaaam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atgaaam?
Yes, KEHONG BIO provides custom synthesis services for Atgaaam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.