Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
TL;DR: Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate (CAS 87896-34-2) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-phenyl-, methyl ester, 2,3,4,5-Tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid methyl ester, methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate, METHYL 4-PHENYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-2-CARBOXYLATE, RefChem:1089480
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 87896-34-2 |
|---|---|
| SMILES | COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3 |
| InChIKey | NAQZJNAMQOBDQN-UHFFFAOYSA-N |
Product Overview
Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate (CAS 87896-34-2), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate.
Chemical Property Profile of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
Property Insights of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
The XLogP value of 3.5 indicates that Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate has 2 hydrogen bond donor(s) and 4 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-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The CAS number of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is 87896-34-2.
What is the molecular formula of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The molecular formula of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is C17H18N2O2.
What is the molecular weight of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The molecular weight of Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is 282.14 g/mol.
Where can I buy Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
You can request a quote for Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-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-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.