3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid
TL;DR: 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid (CAS 1176604-61-7) is a chemical compound with molecular formula C11H12O6S and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid
Also Known As: 3-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-propionic acid, AKOS BBS-00002835, 3-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid, 1532AF
| Molecular Formula | C11H12O6S |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 0.7062 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.03546 |
| Heavy Atoms | 18 |
| Complexity | 562.89624 |
Chemical Identifiers
| CAS Number | 1176604-61-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)O |
Product Overview
3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid (CAS 1176604-61-7), with molecular formula C11H12O6S and molecular weight 272.04 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid.
Chemical Property Profile of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid
Property Insights of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid
The XLogP value of 0.7062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid has 1 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 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid?
The CAS number of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid is 1176604-61-7.
What is the molecular formula of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid?
The molecular formula of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid is C11H12O6S.
What is the molecular weight of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid?
The molecular weight of 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid is 272.04 g/mol.
Where can I buy 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid?
You can request a quote for 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.