KST-1A3398
TL;DR: KST-1A3398 (CAS 27690-02-4) is a chemical compound with molecular formula C20H28N2O10S4 and molecular weight 584.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxybutan-2-yl] methanesulfonate
Also Known As: KST-1A3398, (2s,3s)-1,4-bis{[(4-methylphenyl)sulfonyl]amino}butane-2,3-diyl dimethanesulfonate, [(2S,3S)-1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulf, (2S,3S)-1,4-Bis(4-methylbenzene-1-sulfonamido)butane-2,3-diyl dimethanesulfonate, [(2S,3S)-1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxybutan-2-yl] methanesulfonate
| Molecular Formula | C20H28N2O10S4 |
|---|---|
| Molecular Weight | 584.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 584.0627 |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 27690-02-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]([C@H](CNS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | ZSFFBNLCVMNDCK-PMACEKPBSA-N |
Product Overview
KST-1A3398 (CAS 27690-02-4), with molecular formula C20H28N2O10S4 and molecular weight 584.06 g/mol. IUPAC: [(2S,3S)-1,4-bis[(4-methylphenyl)sulfonylamino]-3-methylsulfonyloxybutan-2-yl] methanesulfonate.
Chemical Property Profile of KST-1A3398
Property Insights of KST-1A3398
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3398. The TPSA of 213.0 Ų indicates high polarity, suggesting KST-1A3398 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A3398 has 2 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-1A3398?
The CAS number of KST-1A3398 is 27690-02-4.
What is the molecular formula of KST-1A3398?
The molecular formula of KST-1A3398 is C20H28N2O10S4.
What is the molecular weight of KST-1A3398?
The molecular weight of KST-1A3398 is 584.06 g/mol.
Where can I buy KST-1A3398?
You can request a quote for KST-1A3398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3398?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.