RefChem:316693
TL;DR: RefChem:316693 (CAS 73622-67-0) is a chemical compound with molecular formula C12H16BrNO3S2 and molecular weight 364.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-1-ium-3-yl]methyl] ethanethioate bromide
Also Known As: 4,5-Dimercaptopyridoxindithioacetat hydrobromid, 4,5-Dimercaptopyridoxindithioacetat hydrobromid [German], 3,4-Di(acetylthiomethyl)-5-hydroxy-6-methylpyridine hydrobromide, 4,5-Di(mercaptomethyl)-2-methyl-3-pyridinol dithioacetate hydrobromide, Acetic acid, thio-, diester with 5-hydroxy-6-methyl-3,4-pyridinedimethanethiol, hydrobromide
| Molecular Formula | C12H16BrNO3S2 |
|---|---|
| Molecular Weight | 364.98 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.9755 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 73622-67-0 |
|---|---|
| SMILES | CC1=[NH+]C=C(C(=C1O)CSC(=O)C)CSC(=O)C.[Br-] |
| InChIKey | LWUHNCDCKMHSPS-UHFFFAOYSA-N |
Product Overview
RefChem:316693 (CAS 73622-67-0), with molecular formula C12H16BrNO3S2 and molecular weight 364.98 g/mol. IUPAC: S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-1-ium-3-yl]methyl] ethanethioate bromide.
Chemical Property Profile of RefChem:316693
Property Insights of RefChem:316693
The XLogP value of -0.92 indicates that RefChem:316693 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316693. Following Lipinski's Rule of Five, RefChem:316693 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 RefChem:316693?
The CAS number of RefChem:316693 is 73622-67-0.
What is the molecular formula of RefChem:316693?
The molecular formula of RefChem:316693 is C12H16BrNO3S2.
What is the molecular weight of RefChem:316693?
The molecular weight of RefChem:316693 is 364.98 g/mol.
Where can I buy RefChem:316693?
You can request a quote for RefChem:316693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316693?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.