Sodium 2-ketogulonate
TL;DR: Sodium 2-ketogulonate (CAS 35318-10-6) is a chemical compound with molecular formula C44H88N2S4 and molecular weight 772.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[octadecyl(propan-2-yl)carbamothioyl]sulfanyl N-octadecyl-N-propan-2-ylcarbamodithioate
Also Known As: Sodium 2-ketogulonate, Sodium xylo-hex-2-ulosonate, xylo-2-Hexulosonic acid, monosodium salt, xylo-2-Hexulosonic acid, sodium salt (1:1), 1,1'-{disulfanediylbis[carbonothioyl(isopropylimino)]}dioctadecane
| Molecular Formula | C44H88N2S4 |
|---|---|
| Molecular Weight | 772.58 g/mol |
| LogP | 21.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 39 |
| Exact Mass | 772.583 |
| Heavy Atoms | 50 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 35318-10-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C |
| InChIKey | PAHVWNRWGPYIMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 2-ketogulonate (CAS 35318-10-6), with molecular formula C44H88N2S4 and molecular weight 772.58 g/mol. IUPAC: [octadecyl(propan-2-yl)carbamothioyl]sulfanyl N-octadecyl-N-propan-2-ylcarbamodithioate.
Chemical Property Profile of Sodium 2-ketogulonate
Property Insights of Sodium 2-ketogulonate
The XLogP value of 21.0 indicates that Sodium 2-ketogulonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 2-ketogulonate. Following Lipinski's Rule of Five, Sodium 2-ketogulonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium 2-ketogulonate?
The CAS number of Sodium 2-ketogulonate is 35318-10-6.
What is the molecular formula of Sodium 2-ketogulonate?
The molecular formula of Sodium 2-ketogulonate is C44H88N2S4.
What is the molecular weight of Sodium 2-ketogulonate?
The molecular weight of Sodium 2-ketogulonate is 772.58 g/mol.
Where can I buy Sodium 2-ketogulonate?
You can request a quote for Sodium 2-ketogulonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-ketogulonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-ketogulonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.