![5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one structure](/static/products/3156/315685-64-4.webp)
5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
TL;DR: 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 315685-64-4) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-7-methyl-3-prop-2-enyl-3,5,6,7,8-pen tahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.66594 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 1057.7572 |
Chemical Identifiers
| CAS Number | 315685-64-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=C(ON=C4C)C)CC=C |
Product Overview
5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 315685-64-4), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
Property Insights of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 4.66594 indicates that 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-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. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one. Following Lipinski's Rule of Five, 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one has 0 hydrogen bond donor(s) and 6 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-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is 315685-64-4.
What is the molecular formula of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is C20H23N3O2S2.
What is the molecular weight of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is 401.12 g/mol.
Where can I buy 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-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 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-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 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-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 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-methyl-4-(prop-2-en-1-yl)-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.