JB 1-0
TL;DR: JB 1-0 (CAS 83051-34-7) is a chemical compound with molecular formula C17H22BrNO3 and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
JB 1-0
4-(2-bromo-4,5-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
Also Known As: 4-(2-Bromo-4,5-dimethoxyphenyl)octahydro-2H-quinolizin-2-one, 4-(2-bromo-4,5-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one, 4-(2-bromo-4,5-dimethoxyphenyl)-octahydro-1H-quinolizin-2-one, 2H-Quinolizin-2-one, 4-(2-bromo-4,5-dimethoxyphenyl)octahydro-, RefChem:150430
| Molecular Formula | C17H22BrNO3 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.0783 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 83051-34-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C2CC(=O)CC3N2CCCC3)Br)OC |
| InChIKey | GBSNIMKWBQIPII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
JB 1-0 (CAS 83051-34-7), with molecular formula C17H22BrNO3 and molecular weight 367.08 g/mol. IUPAC: 4-(2-bromo-4,5-dimethoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.
Chemical Property Profile of JB 1-0
Property Insights of JB 1-0
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JB 1-0. With a topological polar surface area (TPSA) of 38.8 Ų, JB 1-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JB 1-0 has 0 hydrogen bond donor(s) and 4 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 JB 1-0?
The CAS number of JB 1-0 is 83051-34-7.
What is the molecular formula of JB 1-0?
The molecular formula of JB 1-0 is C17H22BrNO3.
What is the molecular weight of JB 1-0?
The molecular weight of JB 1-0 is 367.08 g/mol.
Where can I buy JB 1-0?
You can request a quote for JB 1-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JB 1-0?
Yes, KEHONG BIO provides custom synthesis services for JB 1-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.