4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile
TL;DR: 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile (CAS 38565-52-5) is a chemical compound with molecular formula C17H17N3 and molecular weight 263.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile
Also Known As: 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile, 2-methyl-4-phenyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-2-carbonitrile, 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-ca, 3-methyl-5-phenyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-triene-3-carbonitrile
| Molecular Formula | C17H17N3 |
|---|---|
| Molecular Weight | 263.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.14224 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 38565-52-5 |
|---|---|
| SMILES | CC1(CC(NC2=CC=CC=C2N1)C3=CC=CC=C3)C#N |
| InChIKey | CANDZDVDYZCDEW-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile (CAS 38565-52-5), with molecular formula C17H17N3 and molecular weight 263.14 g/mol. IUPAC: 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile.
Chemical Property Profile of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile
Property Insights of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile
The XLogP value of 3.6 indicates that 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile has 2 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 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile?
The CAS number of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile is 38565-52-5.
What is the molecular formula of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile?
The molecular formula of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile is C17H17N3.
What is the molecular weight of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile?
The molecular weight of 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile is 263.14 g/mol.
Where can I buy 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile?
You can request a quote for 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.