Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
TL;DR: Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 89647-48-3) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
Also Known As: 4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-5-carboxylic acid methyl ester, 1H-1,5-Benzodiazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-oxo-, methyl ester, 1H-1,5-Benzodiazepine-5-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-oxo-, methyl ester, Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate, methyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.9901 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 458.81888 |
Chemical Identifiers
| CAS Number | 89647-48-3 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)OC |
Product Overview
Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 89647-48-3), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: methyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate.
Chemical Property Profile of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
Property Insights of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate
The XLogP value of 1.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 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, Methyl 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 Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The CAS number of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is 89647-48-3.
What is the molecular formula of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular formula of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is C12H14N2O3.
What is the molecular weight of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular weight of Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate is 234.10 g/mol.
Where can I buy Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
You can request a quote for Methyl 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 Methyl 4-hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.