![10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/3075/307511-97-3.webp)
10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one (CAS 307511-97-3) is a chemical compound with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, F0745-0234, 10-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 3-allyl-2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 11-allyl-10-[(3,5-dimethyl-4-isoxazolyl)methylthio]-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C18H19N3O2S2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 4.02984 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.09186 |
| Heavy Atoms | 25 |
| Complexity | 1009.7778 |
Chemical Identifiers
| CAS Number | 307511-97-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one (CAS 307511-97-3), with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol. IUPAC: 10-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 4.02984 indicates that 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-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 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one. Following Lipinski's Rule of Five, 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-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 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is 307511-97-3.
What is the molecular formula of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is C18H19N3O2S2.
What is the molecular weight of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is 373.09 g/mol.
Where can I buy 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 10-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.