3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid
TL;DR: 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid (CAS 4720-62-1) is a chemical compound with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid
Also Known As: 3-(2-Benzoxazolylthio)-1-propanesulfonic acid, 3-(1,3-benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid, 3-[(1,3-Benzoxazol-2-yl)sulfanyl]propane-1-sulfonic acid
| Molecular Formula | C10H11NO4S2 |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.01294 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 4720-62-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCCS(=O)(=O)O |
| InChIKey | CWPPRZUNMZLOSE-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid (CAS 4720-62-1), with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid.
Chemical Property Profile of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid
Property Insights of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid has 1 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 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid?
The CAS number of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid is 4720-62-1.
What is the molecular formula of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid?
The molecular formula of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid is C10H11NO4S2.
What is the molecular weight of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid?
The molecular weight of 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid is 273.01 g/mol.
Where can I buy 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid?
You can request a quote for 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzoxazol-2-ylsulfanyl)propane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.