tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
TL;DR: tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 904815-39-0) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate
Also Known As: tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate, 4-Phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid tert-butyl ester, tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate, tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-, 4-PHENYL-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE-1-CARBOXYLICACIDTERT-BUTYLESTER
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 4.985 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 707.07886 |
Chemical Identifiers
| CAS Number | 904815-39-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(NC2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate (CAS 904815-39-0), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: tert-butyl 2-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylate.
Chemical Property Profile of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
Property Insights of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
The XLogP value of 4.985 indicates that tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-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 41.57 Ų, tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-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 tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate?
The CAS number of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate is 904815-39-0.
What is the molecular formula of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular formula of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate is C20H24N2O2.
What is the molecular weight of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate?
The molecular weight of tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate is 324.18 g/mol.
Where can I buy tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate?
You can request a quote for tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-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 tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.