3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
TL;DR: 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CAS 133405-86-4) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Also Known As: 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-3-methyl-, 2,3,4,5-tetrahydro-3-methyl-1H-1,5-benzodiazepine, 4-methyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-triene, 1H-Pyrazole,1-acetyl-5-(2-fluorophenyl)-4,5-dihydro-3-(2-(5-methyl-2-(2-(4-methylphenyl)-1H-indol-3-yl)-4-oxo-3-thiazolidinyl)phenyl)
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 2.1601 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 243.29602 |
Chemical Identifiers
| CAS Number | 133405-86-4 |
|---|---|
| SMILES | CC1CNC2=CC=CC=C2NC1 |
Product Overview
3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CAS 133405-86-4), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.
Chemical Property Profile of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Property Insights of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
The XLogP value of 2.1601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine. With a topological polar surface area (TPSA) of 24.06 Ų, 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 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 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The CAS number of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is 133405-86-4.
What is the molecular formula of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The molecular formula of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is C10H14N2.
What is the molecular weight of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The molecular weight of 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is 162.12 g/mol.
Where can I buy 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
You can request a quote for 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.