WS 009A
TL;DR: WS 009A (CAS 136286-49-2) is a chemical compound with molecular formula C24H25NO10S and molecular weight 519.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
Also Known As: WS 009A, WS009 A, WS-009A, WS009A, FR 901366
| Molecular Formula | C24H25NO10S |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.11993 |
| Heavy Atoms | 36 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 136286-49-2 |
|---|---|
| SMILES | CC1=CC(=O)C2(C(C1)(CCC3(C2(C(=O)C4=C(C3=O)C(=CC=C4)O)O)SC[C@@H](C(=O)O)NC(=O)C)O)O |
| InChIKey | QJBRZZUZDREZIP-KCBNJNFFSA-N |
Product Overview
WS 009A (CAS 136286-49-2), with molecular formula C24H25NO10S and molecular weight 519.12 g/mol. IUPAC: (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid.
Chemical Property Profile of WS 009A
Property Insights of WS 009A
The XLogP value of -0.7 indicates that WS 009A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting WS 009A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WS 009A has 6 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 WS 009A?
The CAS number of WS 009A is 136286-49-2.
What is the molecular formula of WS 009A?
The molecular formula of WS 009A is C24H25NO10S.
What is the molecular weight of WS 009A?
The molecular weight of WS 009A is 519.12 g/mol.
Where can I buy WS 009A?
You can request a quote for WS 009A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WS 009A?
Yes, KEHONG BIO provides custom synthesis services for WS 009A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.