![11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one structure](/static/products/7378/737814-05-0.webp)
11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
TL;DR: 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 737814-05-0) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, AB00718459-01, 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 11-methyl-5-[(morpholin-4-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C16H21N3O2S |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 1.9416 |
| Topological Polar Surface Area | 58.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.13544 |
| Heavy Atoms | 22 |
| Complexity | 745.66425 |
Chemical Identifiers
| CAS Number | 737814-05-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN4CCOCC4 |
Product Overview
11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 737814-05-0), with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol. IUPAC: 7-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
Property Insights of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 1.9416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one. With a topological polar surface area (TPSA) of 58.22 Ų, 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-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, 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-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 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is 737814-05-0.
What is the molecular formula of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is C16H21N3O2S.
What is the molecular weight of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is 319.14 g/mol.
Where can I buy 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-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 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-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 11-methyl-5-(morpholin-4-ylmethyl)-8-thia-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.