2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
TL;DR: 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 76894-37-6) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Also Known As: 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine, 4,5,6,7-Tetrahydro-2-phenyl-1H-1,3-diazepine, 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine #, 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrochloride
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 76894-37-6 |
|---|---|
| SMILES | C1CCN=C(NC1)C2=CC=CC=C2 |
| InChIKey | YPSSKZYWAMIXNE-UHFFFAOYSA-N |
Product Overview
2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 76894-37-6), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine.
Chemical Property Profile of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Property Insights of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine. With a topological polar surface area (TPSA) of 24.4 Ų, 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine has 1 hydrogen bond donor(s) and 1 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 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The CAS number of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is 76894-37-6.
What is the molecular formula of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular formula of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is C11H14N2.
What is the molecular weight of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular weight of 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is 174.12 g/mol.
Where can I buy 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
You can request a quote for 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.