1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol
TL;DR: 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol (CAS 453577-52-1) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol
Also Known As: 1,1-dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol, BAS 03013071, 1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydro-1lambda*6*-thiophen-3-ol, 3-Hydroxy-4-((pyridin-3-ylmethyl)amino)tetrahydrothiophene 1,1-dioxide, 1,1-dioxo-4-(3-pyridylmethylamino)thiolan-3-ol
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 453577-52-1 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)O)NCC2=CN=CC=C2 |
| InChIKey | HNCRLYXMUJVCNN-UHFFFAOYSA-N |
Product Overview
1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol (CAS 453577-52-1), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: 1,1-dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol.
Chemical Property Profile of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol
Property Insights of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol
The XLogP value of -1.2 indicates that 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol. Following Lipinski's Rule of Five, 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol has 2 hydrogen bond donor(s) and 5 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 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol?
The CAS number of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol is 453577-52-1.
What is the molecular formula of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol?
The molecular formula of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol is C10H14N2O3S.
What is the molecular weight of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol?
The molecular weight of 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol is 242.07 g/mol.
Where can I buy 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol?
You can request a quote for 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.