2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate
TL;DR: 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate (CAS 83646-04-2) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetic acid
Also Known As: (1-Oxy-pyridin-2-ylsulfanyl)-acetic acid, 2-[(carboxymethyl)sulfanyl]pyridin-1-ium-1-olate, Bionet2_000168, 1-oxopyridine-2-thioacetic acid, Acetic acid, [(1-oxido-2-pyridinyl)thio]-
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 0.4967 |
| Topological Polar Surface Area | 64.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 289.7349 |
Chemical Identifiers
| CAS Number | 83646-04-2 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SCC(=O)O)[O-] |
Product Overview
2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate (CAS 83646-04-2), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate
Property Insights of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate
The XLogP value of 0.4967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate. The TPSA of 64.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate. Following Lipinski's Rule of Five, 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate has 1 hydrogen bond donor(s) and 3 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 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate?
The CAS number of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate is 83646-04-2.
What is the molecular formula of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate?
The molecular formula of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate is C7H7NO3S.
What is the molecular weight of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate?
The molecular weight of 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate is 185.01 g/mol.
Where can I buy 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate?
You can request a quote for 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate?
Yes, KEHONG BIO provides custom synthesis services for 2-((Carboxymethyl)sulfanyl)-1-pyridiniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.