Isbogrel
TL;DR: Isbogrel (CAS 89667-40-3) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Also Known As: Isbogrel, Isbogrelum, Isbogrel [INN], Antexan, Isbogrelum [INN-Latin]
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 4.1583 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 549.63007 |
Chemical Identifiers
| CAS Number | 89667-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=CN=CC=C2 |
Product Overview
Isbogrel (CAS 89667-40-3), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: (E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid.
Chemical Property Profile of Isbogrel
Property Insights of Isbogrel
The XLogP value of 4.1583 indicates that Isbogrel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, Isbogrel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isbogrel has 1 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 Isbogrel?
The CAS number of Isbogrel is 89667-40-3.
What is the molecular formula of Isbogrel?
The molecular formula of Isbogrel is C18H19NO2.
What is the molecular weight of Isbogrel?
The molecular weight of Isbogrel is 281.14 g/mol.
Where can I buy Isbogrel?
You can request a quote for Isbogrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isbogrel?
Yes, KEHONG BIO provides custom synthesis services for Isbogrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.