1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-
TL;DR: 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- (CAS 40358-38-1) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
Also Known As: 2,2,4-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 2,3,4,5-Tetrahydro-2,2,4-trimethyl-1H-1,5-benzodiazepine, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-, 2,4,4-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine, 2,2,4-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine #
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 40358-38-1 |
|---|---|
| SMILES | CC1CC(NC2=CC=CC=C2N1)(C)C |
| InChIKey | PYDAWVBZCVMXFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- (CAS 40358-38-1), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: 2,4,4-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine.
Chemical Property Profile of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-
Property Insights of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-
The XLogP value of 3.1 indicates that 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- 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 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-?
The CAS number of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- is 40358-38-1.
What is the molecular formula of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-?
The molecular formula of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- is C12H18N2.
What is the molecular weight of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-?
The molecular weight of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- is 190.15 g/mol.
Where can I buy 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-?
You can request a quote for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.