Dihydronereistoxin
TL;DR: Dihydronereistoxin (CAS 1937-18-4) is a chemical compound with molecular formula C7H15NO4S2 and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)propane-1,3-dithiol;oxalic acid
Also Known As: Dihydronereistoxin, 2-(Dimethylamino)-1,3-propanedithiol ethanedioate, 1,3-Propanedithiol, 2-(dimethylamino)-, oxalate, 1-[(3-bromophenyl)sulfonyl]piperidin-3-ol, 4-anilino-2,3,5,6-tetrafluorobenzenethiol
| Molecular Formula | C7H15NO4S2 |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | -0.07 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.04425 |
| Heavy Atoms | 14 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 1937-18-4 |
|---|---|
| SMILES | CN(C)C(CS)CS.C(=O)(C(=O)O)O |
| InChIKey | WRCRFKLCWDBILI-UHFFFAOYSA-N |
Product Overview
Dihydronereistoxin (CAS 1937-18-4), with molecular formula C7H15NO4S2 and molecular weight 241.04 g/mol. IUPAC: 2-(dimethylamino)propane-1,3-dithiol;oxalic acid.
Chemical Property Profile of Dihydronereistoxin
Property Insights of Dihydronereistoxin
The XLogP value of -0.07 indicates that Dihydronereistoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydronereistoxin. Following Lipinski's Rule of Five, Dihydronereistoxin has 4 hydrogen bond donor(s) and 7 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 Dihydronereistoxin?
The CAS number of Dihydronereistoxin is 1937-18-4.
What is the molecular formula of Dihydronereistoxin?
The molecular formula of Dihydronereistoxin is C7H15NO4S2.
What is the molecular weight of Dihydronereistoxin?
The molecular weight of Dihydronereistoxin is 241.04 g/mol.
Where can I buy Dihydronereistoxin?
You can request a quote for Dihydronereistoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydronereistoxin?
Yes, KEHONG BIO provides custom synthesis services for Dihydronereistoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.