![3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene structure](/static/products/3029/302935-98-4.webp)
3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
TL;DR: 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 302935-98-4) is a chemical compound with molecular formula C20H15N3OS3 and molecular weight 409.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene, 2-methyl-5-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yloxy)thioph eno[2,3-e]benzothiazole, 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C20H15N3OS3 |
|---|---|
| Molecular Weight | 409.04 g/mol |
| LogP | 6.49522 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.03772 |
| Heavy Atoms | 27 |
| Complexity | 1331.0122 |
Chemical Identifiers
| CAS Number | 302935-98-4 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC4=C5C6=C(CCCC6)SC5=NC=N4 |
Product Overview
3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 302935-98-4), with molecular formula C20H15N3OS3 and molecular weight 409.04 g/mol. IUPAC: 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
Property Insights of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
The XLogP value of 6.49522 indicates that 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 302935-98-4.
What is the molecular formula of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is C20H15N3OS3.
What is the molecular weight of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 409.04 g/mol.
Where can I buy 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
You can request a quote for 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-methyl-5,12-dithia-3-azatricyclo[7.3.0.0^{2,6}]dodeca-1,3,6,8,10-pentaen-8-yl}oxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.