Pibocin B
TL;DR: Pibocin B (CAS 388112-41-2) is a chemical compound with molecular formula C17H21BrN2O and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: PIBOCIN B, 1-Methoxy-2-bromo-6,8beta-dimethylergoline, J1.650.569B, (2R,4R,7R)-10-bromo-11-methoxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene, (6aR,9R,10aR)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo(4,3-fg)quinoline
| Molecular Formula | C17H21BrN2O |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.4421 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.08374 |
| Heavy Atoms | 21 |
| Complexity | 708.3683 |
Chemical Identifiers
| CAS Number | 388112-41-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H](CC3=C(N(C4=CC=CC2=C34)OC)Br)N(C1)C |
Product Overview
Pibocin B (CAS 388112-41-2), with molecular formula C17H21BrN2O and molecular weight 348.08 g/mol. IUPAC: (6aR,9R,10aR)-5-bromo-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.
Chemical Property Profile of Pibocin B
Property Insights of Pibocin B
The XLogP value of 3.4421 indicates that Pibocin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.4 Ų, Pibocin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pibocin B has 0 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 Pibocin B?
The CAS number of Pibocin B is 388112-41-2.
What is the molecular formula of Pibocin B?
The molecular formula of Pibocin B is C17H21BrN2O.
What is the molecular weight of Pibocin B?
The molecular weight of Pibocin B is 348.08 g/mol.
Where can I buy Pibocin B?
You can request a quote for Pibocin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pibocin B?
Yes, KEHONG BIO provides custom synthesis services for Pibocin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.