WS 009B
TL;DR: WS 009B (CAS 136286-50-5) is a chemical compound with molecular formula C24H25NO11S and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
Also Known As: WS 009B, WS-009B, WS009B, WS009 B, FR 901367
| Molecular Formula | C24H25NO11S |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.1148 |
| Heavy Atoms | 37 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 136286-50-5 |
|---|---|
| SMILES | CC1=CC(=O)C2(C(C1)(CC(C3(C2(C(=O)C4=C(C3=O)C(=CC=C4)O)O)SC[C@@H](C(=O)O)NC(=O)C)O)O)O |
| InChIKey | JTSMUTXXQIUBJR-FJOZLUQASA-N |
Product Overview
WS 009B (CAS 136286-50-5), with molecular formula C24H25NO11S and molecular weight 535.11 g/mol. IUPAC: (2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid.
Chemical Property Profile of WS 009B
Property Insights of WS 009B
The XLogP value of -1.7 indicates that WS 009B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting WS 009B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WS 009B has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WS 009B?
The CAS number of WS 009B is 136286-50-5.
What is the molecular formula of WS 009B?
The molecular formula of WS 009B is C24H25NO11S.
What is the molecular weight of WS 009B?
The molecular weight of WS 009B is 535.11 g/mol.
Where can I buy WS 009B?
You can request a quote for WS 009B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WS 009B?
Yes, KEHONG BIO provides custom synthesis services for WS 009B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.