KST-1A9488
TL;DR: KST-1A9488 (CAS 7149-06-6) is a chemical compound with molecular formula C12H21N3O12S3 and molecular weight 495.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(2-methylsulfonyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl methanesulfonate
Also Known As: KST-1A9488, NCI60_004030, 1,3,5-tris -1,3,5-triazinane-2,4,6-trione, 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate(ester), s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)
| Molecular Formula | C12H21N3O12S3 |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.02875 |
| Heavy Atoms | 30 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 7149-06-6 |
|---|---|
| SMILES | CS(=O)(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOS(=O)(=O)C)CCOS(=O)(=O)C |
| InChIKey | MVHYWAHKVCIALK-UHFFFAOYSA-N |
Product Overview
KST-1A9488 (CAS 7149-06-6), with molecular formula C12H21N3O12S3 and molecular weight 495.03 g/mol. IUPAC: 2-[3,5-bis(2-methylsulfonyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl methanesulfonate.
Chemical Property Profile of KST-1A9488
Property Insights of KST-1A9488
The XLogP value of -2.4 indicates that KST-1A9488 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting KST-1A9488 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A9488 has 0 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 KST-1A9488?
The CAS number of KST-1A9488 is 7149-06-6.
What is the molecular formula of KST-1A9488?
The molecular formula of KST-1A9488 is C12H21N3O12S3.
What is the molecular weight of KST-1A9488?
The molecular weight of KST-1A9488 is 495.03 g/mol.
Where can I buy KST-1A9488?
You can request a quote for KST-1A9488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A9488?
Yes, KEHONG BIO provides custom synthesis services for KST-1A9488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.