N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
TL;DR: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine (CAS 57552-77-9) is a chemical compound with molecular formula C15H21N3 and molecular weight 243.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
Also Known As: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine, 5-t-Butylamino-7-phenyl-2,3-dihydro-1H-1,4-diazepine, 7-phenyl-N-tert-butyl-2,3-dihydro-1H-1,4-diazepin-5-amine, 1H-1,4-Diazepin-5-amine, N-(1,1-dimethylethyl)-2,3-dihydro-7-phenyl-
| Molecular Formula | C15H21N3 |
|---|---|
| Molecular Weight | 243.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.17355 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 57552-77-9 |
|---|---|
| SMILES | CC(C)(C)NC1=NCCNC(=C1)C2=CC=CC=C2 |
| InChIKey | GWYCOTJQPGWSMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine (CAS 57552-77-9), with molecular formula C15H21N3 and molecular weight 243.17 g/mol. IUPAC: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine.
Chemical Property Profile of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
Property Insights of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine. With a topological polar surface area (TPSA) of 36.4 Ų, N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine has 2 hydrogen bond donor(s) and 2 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 N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine?
The CAS number of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine is 57552-77-9.
What is the molecular formula of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine?
The molecular formula of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine is C15H21N3.
What is the molecular weight of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine?
The molecular weight of N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine is 243.17 g/mol.
Where can I buy N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine?
You can request a quote for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.