1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide
TL;DR: 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide (CAS 848745-22-2) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,5,5-pentamethyl-2-oxido-4H-2-benzazepin-2-ium
Also Known As: 1,3,3,5,5-pentamethyl-2-oxido-4H-2-benzazepin-2-ium, 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide, 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-benzo[c]azepine 2-oxide, 1,3,3,5,5-PENTAMETHYL-4,5-DIHYDRO-3H-2-BENZAZEPIN-2-IUM-2-OLATE
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 848745-22-2 |
|---|---|
| SMILES | CC1=[N+](C(CC(C2=CC=CC=C12)(C)C)(C)C)[O-] |
| InChIKey | LNOLLIWZSUNSPN-UHFFFAOYSA-N |
Product Overview
1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide (CAS 848745-22-2), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1,3,3,5,5-pentamethyl-2-oxido-4H-2-benzazepin-2-ium.
Chemical Property Profile of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide
Property Insights of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide. With a topological polar surface area (TPSA) of 28.8 Ų, 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide has 0 hydrogen bond donor(s) and 1 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 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide?
The CAS number of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide is 848745-22-2.
What is the molecular formula of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide?
The molecular formula of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide is C15H21NO.
What is the molecular weight of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide?
The molecular weight of 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide is 231.16 g/mol.
Where can I buy 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide?
You can request a quote for 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3,5,5-pentamethyl-4,5-dihydro-3H-2-benzazepine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.