TL;DR: 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione (CAS 878734-43-1) is a chemical compound with molecular formula C16H21N5O2 and molecular weight 315.16953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7,8-trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5815336:001, ASN 13030258, F3124-0687, 4,7,8-trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione, 3-allyl-8-isopropyl-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C16H21N5O2 |
| Molecular Weight | 315.16953 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.16953 Da |
| Heavy Atoms | 23 |
| Complexity | 537.0 |
| SMILES | CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC=C)C(C)C)C |
| InChIKey | MZRMBDADOMLYSI-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione. Following Lipinski's Rule of Five, 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione is 878734-43-1.
The molecular formula of 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione is C16H21N5O2.
The molecular weight of 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione is 315.16953 g/mol.
You can request a quote for 4,7,8-Trimethyl-6-propan-2-yl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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