KST-1A5459
TL;DR: KST-1A5459 (CAS 5338-98-7) is a chemical compound with molecular formula C10H22N8O2S2 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate
Also Known As: KST-1A5459, (14e)-14-amino-14-imino-4,9-dioxo-13-thia-3,5,8,10-tetraazatetradec-1-yl carbamimidothioate(non-preferred name), 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate
| Molecular Formula | C10H22N8O2S2 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 350.1307 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 5338-98-7 |
|---|---|
| SMILES | C(CNC(=O)NCCSC(=N)N)NC(=O)NCCSC(=N)N |
| InChIKey | IIAQEVQFHOXPMQ-UHFFFAOYSA-N |
Product Overview
KST-1A5459 (CAS 5338-98-7), with molecular formula C10H22N8O2S2 and molecular weight 350.13 g/mol. IUPAC: 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate.
Chemical Property Profile of KST-1A5459
Property Insights of KST-1A5459
The XLogP value of -1.6 indicates that KST-1A5459 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting KST-1A5459 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A5459 has 8 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A5459?
The CAS number of KST-1A5459 is 5338-98-7.
What is the molecular formula of KST-1A5459?
The molecular formula of KST-1A5459 is C10H22N8O2S2.
What is the molecular weight of KST-1A5459?
The molecular weight of KST-1A5459 is 350.13 g/mol.
Where can I buy KST-1A5459?
You can request a quote for KST-1A5459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A5459?
Yes, KEHONG BIO provides custom synthesis services for KST-1A5459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.