![2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione structure](/static/products/452/452921-91-4.png)
2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione
TL;DR: 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione (CAS 452921-91-4) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydroisochromeno[3,4-d]pyrimidine-1,3-dione
Also Known As: 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione, 2,4,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydroisochromeno[3,4-d]pyrimidine-1,3-dione, 4,6,9,9,13-pentamethyl-8-oxa-4,6-diazatricyclo[8.4.0.0^{2,7}]tetradec-2(7)-ene-3,5-dione
| Molecular Formula | C16H24N2O3 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 1.7748 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.17868 |
| Heavy Atoms | 21 |
| Complexity | 698.6992 |
Chemical Identifiers
| CAS Number | 452921-91-4 |
|---|---|
| SMILES | CC1CCC2C(C1)C3=C(N(C(=O)N(C3=O)C)C)OC2(C)C |
Product Overview
2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione (CAS 452921-91-4), with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol. IUPAC: 2,4,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydroisochromeno[3,4-d]pyrimidine-1,3-dione.
Chemical Property Profile of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione
Property Insights of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione
The XLogP value of 1.7748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione. With a topological polar surface area (TPSA) of 53.23 Ų, 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione has 0 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 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione?
The CAS number of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione is 452921-91-4.
What is the molecular formula of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione?
The molecular formula of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione is C16H24N2O3.
What is the molecular weight of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione?
The molecular weight of 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione is 292.18 g/mol.
Where can I buy 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione?
You can request a quote for 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6,6,9-pentamethyl-4,6,6a,7,8,9,10,10a-octahydro-1H-isochromeno[3,4-d]pyrimidine-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.