2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
TL;DR: 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one (CAS 131563-03-6) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
Also Known As: HMPBD, 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one, 4-methyl-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione, 4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione, 4-Methyl-1H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-diol
Technical Specifications
| Molecular Formula | C12H10N4O2 |
| Molecular Weight | 242.08037 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.08037 Da |
| Heavy Atoms | 18 |
| Complexity | 480.0 |
| SMILES | CC1=C2C(=NC(=O)N1)NC3=CC=CC=C3NC2=O |
| InChIKey | UPCKLSSECCAMDA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
Property Insights of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one. Following Lipinski's Rule of Five, 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one?
The CAS number of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one is 131563-03-6.
What is the molecular formula of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one?
The molecular formula of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one is C12H10N4O2.
What is the molecular weight of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one?
The molecular weight of 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one is 242.08037 g/mol.
Where can I buy 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one?
You can request a quote for 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.