5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane
TL;DR: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane (CAS 6642-40-6) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane, 5-[(2H-1,3-Benzodioxol-5-yl)methyl]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione, 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2H-1,3-Benzodioxol-5-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 0.1049 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 567.09216 |
Chemical Identifiers
| CAS Number | 6642-40-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC3C(=O)NC(=S)NC3=O |
Product Overview
5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane (CAS 6642-40-6), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane
Property Insights of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane
The XLogP value of 0.1049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane has 2 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 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane?
The CAS number of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane is 6642-40-6.
What is the molecular formula of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane?
The molecular formula of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane is C12H10N2O4S.
What is the molecular weight of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane?
The molecular weight of 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane is 278.04 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane?
You can request a quote for 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.