4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione
TL;DR: 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione (CAS 477858-19-8) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide, 4-(1,3-benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione, 11P-607, 4-(benzo[1,3]dioxol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide, 4-(Benzo[d][1,3]dioxol-5-ylmethyl)thiomorpholine 1,1-dioxide
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.6457 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 541.19586 |
Chemical Identifiers
| CAS Number | 477858-19-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1CC2=CC3=C(C=C2)OCO3 |
Product Overview
4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione (CAS 477858-19-8), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione
Property Insights of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione
The XLogP value of 0.6457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione. With a topological polar surface area (TPSA) of 55.84 Ų, 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione has 0 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 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione is 477858-19-8.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione is C12H15NO4S.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione is 269.07 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethyl)-1lambda~6~,4-thiazinane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.