4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one
TL;DR: 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one (CAS 54012-91-8) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one, 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one, 10-(furfurylidenehydrazino-acetyl)-10H-phenothiazine, 4-(Adamantan-1-yl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one, 1,5-DIHYDRO-4-TRICYCLO(3.3.1.13,7)DEC-1-YL-2H-1,5-BENZODIAZEPIN-2-ONE
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 54012-91-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NC5=CC=CC=C5N4 |
| InChIKey | MMYXHKSQHBQXHD-UHFFFAOYSA-N |
Product Overview
4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one (CAS 54012-91-8), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one
Property Insights of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.8 indicates that 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one 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 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one is 54012-91-8.
What is the molecular formula of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one is C19H22N2O.
What is the molecular weight of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one is 294.17 g/mol.
Where can I buy 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-1,5-dihydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.