6-Chloro-PB hydrobromide
TL;DR: 6-Chloro-PB hydrobromide (CAS 71636-61-8) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-Chloro-PB hydrobromide
9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Also Known As: SKF 81297, 6-Chloro-PB hydrobromide, SK&F 81297, SKF 81297 hydrochloride, Lopac0_001162
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 71636-61-8 |
|---|---|
| SMILES | C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3 |
| InChIKey | GHWJEDJMOVUXEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-PB hydrobromide (CAS 71636-61-8), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol.
Chemical Property Profile of 6-Chloro-PB hydrobromide
Property Insights of 6-Chloro-PB hydrobromide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-PB hydrobromide. With a topological polar surface area (TPSA) of 52.5 Ų, 6-Chloro-PB hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-PB hydrobromide has 3 hydrogen bond donor(s) and 3 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 6-Chloro-PB hydrobromide?
The CAS number of 6-Chloro-PB hydrobromide is 71636-61-8.
What is the molecular formula of 6-Chloro-PB hydrobromide?
The molecular formula of 6-Chloro-PB hydrobromide is C16H16ClNO2.
What is the molecular weight of 6-Chloro-PB hydrobromide?
The molecular weight of 6-Chloro-PB hydrobromide is 289.09 g/mol.
Where can I buy 6-Chloro-PB hydrobromide?
You can request a quote for 6-Chloro-PB hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-PB hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-PB hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.