3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine
TL;DR: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine (CAS 846581-91-7) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine
Also Known As: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine, 3-(p-tolyl)-5,5a,6,7,8,9-hexahydro-4H-benzo[c][1,2]diazepine, 3-p-Tolyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c][1,2]diazepine
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 4.12412 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 482.32336 |
Chemical Identifiers
| CAS Number | 846581-91-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3CCCCC3CC2 |
Product Overview
3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine (CAS 846581-91-7), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine.
Chemical Property Profile of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine
Property Insights of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine
The XLogP value of 4.12412 indicates that 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine has 0 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-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine?
The CAS number of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine is 846581-91-7.
What is the molecular formula of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine?
The molecular formula of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine is C16H20N2.
What is the molecular weight of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine?
The molecular weight of 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine is 240.16 g/mol.
Where can I buy 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine?
You can request a quote for 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.