![6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one structure](/static/products/100/1005118-76-2.png)
6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one
TL;DR: 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one (CAS 1005118-76-2) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6,9-trimethyl-3-sulfanylidene-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-d]pyrimidin-1-one
Also Known As: 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one, 6,6,9-trimethyl-3-sulfanyl-6a,7,8,9,10,10a-hexahydro-6H-isochromeno[3,4-d]pyrimidin-1-ol, 6,6,9-trimethyl-3-sulfanylidene-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-d]pyrimidin-1-one
| Molecular Formula | C14H20N2O2S |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.12329 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.12454 |
| Heavy Atoms | 19 |
| Complexity | 616.60736 |
Chemical Identifiers
| CAS Number | 1005118-76-2 |
|---|---|
| SMILES | CC1CCC2C(C1)C3=C(NC(=S)NC3=O)OC2(C)C |
Product Overview
6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one (CAS 1005118-76-2), with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol. IUPAC: 6,6,9-trimethyl-3-sulfanylidene-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-d]pyrimidin-1-one.
Chemical Property Profile of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one
Property Insights of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one
The XLogP value of 3.12329 indicates that 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.88 Ų, 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one has 2 hydrogen bond donor(s) and 3 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 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one?
The CAS number of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one is 1005118-76-2.
What is the molecular formula of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one?
The molecular formula of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one is C14H20N2O2S.
What is the molecular weight of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one?
The molecular weight of 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one is 280.12 g/mol.
Where can I buy 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one?
You can request a quote for 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6,9-trimethyl-3-thioxo-2,3,4,6,6a,7,8,9,10,10a-decahydro-1H-isochromeno[3,4-d]pyrimidin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.