YS 822A
TL;DR: YS 822A (CAS 130767-46-3) is a chemical compound with molecular formula C37H59NO14 and molecular weight 741.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
23-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
Also Known As: YS 822A, YS-822A, NCI60_015690, 23-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid, 3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-20,21,23,25,27-pentahydroxy-17-oxo-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
| Molecular Formula | C37H59NO14 |
|---|---|
| Molecular Weight | 741.39 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 741.39355 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 130767-46-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CC3C(C(CC(O3)(CC(CC(C(CCC(=O)OC(CCCC=CC=CC=CC=C2)C(C)C)O)O)O)O)O)C(=O)O)O)N)O |
| InChIKey | HCAJMOSNTHQEGE-UHFFFAOYSA-N |
Product Overview
YS 822A (CAS 130767-46-3), with molecular formula C37H59NO14 and molecular weight 741.39 g/mol. IUPAC: 23-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid.
Chemical Property Profile of YS 822A
Property Insights of YS 822A
The XLogP value of -0.7 indicates that YS 822A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting YS 822A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YS 822A 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 YS 822A?
The CAS number of YS 822A is 130767-46-3.
What is the molecular formula of YS 822A?
The molecular formula of YS 822A is C37H59NO14.
What is the molecular weight of YS 822A?
The molecular weight of YS 822A is 741.39 g/mol.
Where can I buy YS 822A?
You can request a quote for YS 822A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YS 822A?
Yes, KEHONG BIO provides custom synthesis services for YS 822A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.