![4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/7937/793716-06-0.webp)
4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 793716-06-0) is a chemical compound with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxypropyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 2-mercapto-3-(3-methoxypropyl)-6,7-dihydro-5H-thiopyrano[3',2':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 4-(3-methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 4-(3-methoxypropyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 4-(3-methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo7.4.0.0,2,7trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C13H16N2O2S3 |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 3.19539 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.03738 |
| Heavy Atoms | 20 |
| Complexity | 744.3798 |
Chemical Identifiers
| CAS Number | 793716-06-0 |
|---|---|
| SMILES | COCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCS3 |
Product Overview
4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 793716-06-0), with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol. IUPAC: 4-(3-methoxypropyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 3.19539 indicates that 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one 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 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 793716-06-0.
What is the molecular formula of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C13H16N2O2S3.
What is the molecular weight of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 328.04 g/mol.
Where can I buy 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.