3-cyano-1-Propanesulfonic acid
TL;DR: 3-cyano-1-Propanesulfonic acid (CAS 99586-41-1) is a chemical compound with molecular formula C4H7NO3S and molecular weight 149.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyanopropane-1-sulfonic acid
Also Known As: 3-cyano-1-Propanesulfonic acid, 3-cyanopropane-1-sulfonic Acid, 1-Propanesulfonic acid, 3-cyano-, 3-cyanopropane-1-sulfonic Acid, AC1N6IZQ, SCHEMBL9322595, 3-cyano-1-Propanesulfonic acid, DB-080616, 99586-41-1
| Molecular Formula | C4H7NO3S |
|---|---|
| Molecular Weight | 149.01 g/mol |
| LogP | 0.17798 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.01466 |
| Heavy Atoms | 9 |
| Complexity | 200.34286 |
Chemical Identifiers
| CAS Number | 99586-41-1 |
|---|---|
| SMILES | C(CC#N)CS(=O)(=O)O |
Product Overview
3-cyano-1-Propanesulfonic acid (CAS 99586-41-1), with molecular formula C4H7NO3S and molecular weight 149.01 g/mol. IUPAC: 3-cyanopropane-1-sulfonic acid.
Chemical Property Profile of 3-cyano-1-Propanesulfonic acid
Property Insights of 3-cyano-1-Propanesulfonic acid
The XLogP value of 0.17798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-1-Propanesulfonic acid. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-1-Propanesulfonic acid. Following Lipinski's Rule of Five, 3-cyano-1-Propanesulfonic acid 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 3-cyano-1-Propanesulfonic acid?
The CAS number of 3-cyano-1-Propanesulfonic acid is 99586-41-1.
What is the molecular formula of 3-cyano-1-Propanesulfonic acid?
The molecular formula of 3-cyano-1-Propanesulfonic acid is C4H7NO3S.
What is the molecular weight of 3-cyano-1-Propanesulfonic acid?
The molecular weight of 3-cyano-1-Propanesulfonic acid is 149.01 g/mol.
Where can I buy 3-cyano-1-Propanesulfonic acid?
You can request a quote for 3-cyano-1-Propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-1-Propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-1-Propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.