Chryscandin
TL;DR: Chryscandin (CAS 86936-90-5) is a chemical compound with molecular formula C20H23N7O6 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
Also Known As: Chryscandin, KST-1A8991, (2s,3s,4r,5r)-3-{[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino}-5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-2-carboxylic acid(non-preferred name), (2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid, beta-D-Ribofuranuronic acid, 3-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-, (S)-
| Molecular Formula | C20H23N7O6 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.171 |
| Heavy Atoms | 33 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 86936-90-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)O)N |
| InChIKey | TXYMIIPGRTXESZ-JDZCFQESSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chryscandin (CAS 86936-90-5), with molecular formula C20H23N7O6 and molecular weight 457.17 g/mol. IUPAC: (2S,3S,4R,5R)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid.
Chemical Property Profile of Chryscandin
Property Insights of Chryscandin
The XLogP value of -2.8 indicates that Chryscandin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting Chryscandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chryscandin has 5 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 Chryscandin?
The CAS number of Chryscandin is 86936-90-5.
What is the molecular formula of Chryscandin?
The molecular formula of Chryscandin is C20H23N7O6.
What is the molecular weight of Chryscandin?
The molecular weight of Chryscandin is 457.17 g/mol.
Where can I buy Chryscandin?
You can request a quote for Chryscandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chryscandin?
Yes, KEHONG BIO provides custom synthesis services for Chryscandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.