3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid
TL;DR: 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid (CAS 439096-88-5) is a chemical compound with molecular formula C14H17NO6S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid, 3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid, 3-(2H-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)propanoic acid, 3-(1,3-BenZodioxol-5-yl)-3-(1,1-dioxo-4-thiaZinan-4-yl)propanoic acid, 3-(Benzo[d][1,3]dioxol-5-yl)-3-(1,1-dioxidothiomorpholino)propanoic acid
| Molecular Formula | C14H17NO6S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 0.6615 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.07767 |
| Heavy Atoms | 22 |
| Complexity | 672.57355 |
Chemical Identifiers
| CAS Number | 439096-88-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC(=O)O)C2=CC3=C(C=C2)OCO3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid (CAS 439096-88-5), with molecular formula C14H17NO6S and molecular weight 327.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid
Property Insights of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid
The XLogP value of 0.6615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic 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-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid is 439096-88-5.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid is C14H17NO6S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid is 327.08 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)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-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-3-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.