GR 122222X
TL;DR: GR 122222X (CAS 161161-54-2) is a chemical compound with molecular formula C26H35N5O11S2 and molecular weight 657.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-[[(2S)-2-aminopropanoyl]-[(2R)-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate
Also Known As: Cyclothialidine C, GR 122222X, GR122222X, GR-122222X, [(2S)-2-[[(2S)-2-aminopropanoyl]-[(2R)-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate
| Molecular Formula | C26H35N5O11S2 |
|---|---|
| Molecular Weight | 657.18 g/mol |
| LogP | -2.70528 |
| Topological Polar Surface Area | 257.92 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 657.1774 |
| Heavy Atoms | 44 |
| Complexity | 1325.5331 |
Chemical Identifiers
| CAS Number | 161161-54-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1O)O)CS)C(=O)OC(=O)[C@H](C)N(C(=O)[C@H](C)N)C(=O)[C@H](C=S)NC(=O)[C@H](CO)NC(=O)[C@@H]2[C@@H](CCN2)O |
Product Overview
GR 122222X (CAS 161161-54-2), with molecular formula C26H35N5O11S2 and molecular weight 657.18 g/mol. IUPAC: [(2S)-2-[[(2S)-2-aminopropanoyl]-[(2R)-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylidenepropanoyl]amino]propanoyl] 3,5-dihydroxy-2-methyl-6-(sulfanylmethyl)benzoate.
Chemical Property Profile of GR 122222X
Property Insights of GR 122222X
The XLogP value of -2.70528 indicates that GR 122222X is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.92 Ų indicates high polarity, suggesting GR 122222X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GR 122222X has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GR 122222X?
The CAS number of GR 122222X is 161161-54-2.
What is the molecular formula of GR 122222X?
The molecular formula of GR 122222X is C26H35N5O11S2.
What is the molecular weight of GR 122222X?
The molecular weight of GR 122222X is 657.18 g/mol.
Where can I buy GR 122222X?
You can request a quote for GR 122222X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GR 122222X?
Yes, KEHONG BIO provides custom synthesis services for GR 122222X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.