Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
TL;DR: Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 98987-11-2) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
Also Known As: Phenyl 2,3,4,5-tetrahydro-2-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxylate, 1H-1,5-Benzodiazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-oxo-, phenyl ester, Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate, phenyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate, RefChem:1095004
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.4227 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 700.06006 |
Chemical Identifiers
| CAS Number | 98987-11-2 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)OC3=CC=CC=C3 |
Product Overview
Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 98987-11-2), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: phenyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate.
Chemical Property Profile of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
Property Insights of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
The XLogP value of 3.4227 indicates that Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate has 1 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 Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The CAS number of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is 98987-11-2.
What is the molecular formula of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular formula of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is C17H16N2O3.
What is the molecular weight of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular weight of Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is 296.12 g/mol.
Where can I buy Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
You can request a quote for Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.