3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
TL;DR: 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide (CAS 81078-23-1) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-oxido-1-phenyl-3H-2-benzazepin-2-ium
Also Known As: 8-Chloro-1-phenyl-3H-2-benzazepine 2-oxide, 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide, 8-Chlor-1-phenyl-3H-2-benzazepin-2-oxid, 8-Chlor-1-phenyl-3H-2-benzazepin-2-oxid [German], 8-Chloro-1-phenyl-3H-2-benzazepine2-oxide
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.7145 |
| Topological Polar Surface Area | 26.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 674.4032 |
Chemical Identifiers
| CAS Number | 81078-23-1 |
|---|---|
| SMILES | C1C=CC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3 |
Product Overview
3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide (CAS 81078-23-1), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: 8-chloro-2-oxido-1-phenyl-3H-2-benzazepin-2-ium.
Chemical Property Profile of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
Property Insights of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
The XLogP value of 3.7145 indicates that 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.07 Ų, 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-2-Benzazepine, 8-chloro-1-phenyl-, 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 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide?
The CAS number of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide is 81078-23-1.
What is the molecular formula of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide?
The molecular formula of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide is C16H12ClNO.
What is the molecular weight of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide?
The molecular weight of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide is 269.06 g/mol.
Where can I buy 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide?
You can request a quote for 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.