![(4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione structure](/static/products/6881/68813-32-1.webp)
(4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
TL;DR: (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione (CAS 68813-32-1) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8R,9S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione
Also Known As: (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione, 4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 68813-32-1 |
|---|---|
| SMILES | CC1[C@]2(C(=C([C@]13[C@@]2(N4C(=O)N(C(=O)N4C3)C5=CC=CC=C5)C)C)C)C |
| InChIKey | YFMBMZXUSHHABR-NWSAIFGKSA-N |
Product Overview
(4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione (CAS 68813-32-1), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: (1R,8R,9S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione.
Chemical Property Profile of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
Property Insights of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 43.9 Ų, (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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 (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione?
The CAS number of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione is 68813-32-1.
What is the molecular formula of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione?
The molecular formula of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione is C20H23N3O2.
What is the molecular weight of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione?
The molecular weight of (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione is 337.18 g/mol.
Where can I buy (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione?
You can request a quote for (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-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 (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (4aR,5S,7aR)-4a,5,6,7,10-Pentamethyl-2-phenyl-4a,5-dihydro-1H,8H-5,7a-methanocyclopenta[3,4]pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.