Isalsteine
TL;DR: Isalsteine (CAS 116818-99-6) is a chemical compound with molecular formula C14H15NO6S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid
Also Known As: Isalsteine, isalsteina, Isalsteine [INN], isalsteinum, 2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid
| Molecular Formula | C14H15NO6S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.232 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.062 |
| Heavy Atoms | 22 |
| Complexity | 619.1055 |
Chemical Identifiers
| CAS Number | 116818-99-6 |
|---|---|
| SMILES | CC(C(=O)NCC(=O)O)SC1(OC2=CC=CC=C2C(=O)O1)C |
Product Overview
Isalsteine (CAS 116818-99-6), with molecular formula C14H15NO6S and molecular weight 325.06 g/mol. IUPAC: 2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid.
Chemical Property Profile of Isalsteine
Property Insights of Isalsteine
The XLogP value of 1.232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isalsteine. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Isalsteine. Following Lipinski's Rule of Five, Isalsteine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isalsteine?
The CAS number of Isalsteine is 116818-99-6.
What is the molecular formula of Isalsteine?
The molecular formula of Isalsteine is C14H15NO6S.
What is the molecular weight of Isalsteine?
The molecular weight of Isalsteine is 325.06 g/mol.
Where can I buy Isalsteine?
You can request a quote for Isalsteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isalsteine?
Yes, KEHONG BIO provides custom synthesis services for Isalsteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.