6-庚烯酸7-苯基-7-(3-吡啶基)(Z)
TL;DR: 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) (CAS 89667-39-0) 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.
6-庚烯酸7-苯基-7-(3-吡啶基)(Z)
7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Also Known As: Isbogrel, 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (Z)-, 7-phenyl-7-pyridin-3-ylhept-6-enoic acid, 7-PHENYL-7-(PYRIDIN-3-YL)HEPT-6-ENOIC ACID
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 89667-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2 |
| InChIKey | UWPBQLKEHGGKKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-庚烯酸7-苯基-7-(3-吡啶基)(Z) (CAS 89667-39-0), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: 7-phenyl-7-pyridin-3-ylhept-6-enoic acid.
Chemical Property Profile of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)
Property Insights of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)
The XLogP value of 4.0 indicates that 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) has 1 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-庚烯酸7-苯基-7-(3-吡啶基)(Z)?
The CAS number of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) is 89667-39-0.
What is the molecular formula of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)?
The molecular formula of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) is C18H19NO2.
What is the molecular weight of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)?
The molecular weight of 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) is 281.14 g/mol.
Where can I buy 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)?
You can request a quote for 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-庚烯酸7-苯基-7-(3-吡啶基)(Z)?
Yes, KEHONG BIO provides custom synthesis services for 6-庚烯酸7-苯基-7-(3-吡啶基)(Z) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.