Grisan
TL;DR: Grisan (CAS 182-50-3) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[3H-1-benzofuran-2,1'-cyclohexane]
Also Known As: Grisan, Coumaranspiro(2,1')cyclohexane, Spiro(benzofuran-2(3H),1'-cyclohexane), spiro[1-benzofuran-2,1'-cyclohexane], 3h-spiro[benzofuran-2,1'-cyclohexane]
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 182-50-3 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3O2 |
| InChIKey | NBRDIJDCPCLUPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Grisan (CAS 182-50-3), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: spiro[3H-1-benzofuran-2,1'-cyclohexane].
Chemical Property Profile of Grisan
Property Insights of Grisan
The XLogP value of 3.6 indicates that Grisan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Grisan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Grisan has 0 hydrogen bond donor(s) and 1 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 Grisan?
The CAS number of Grisan is 182-50-3.
What is the molecular formula of Grisan?
The molecular formula of Grisan is C13H16O.
What is the molecular weight of Grisan?
The molecular weight of Grisan is 188.12 g/mol.
Where can I buy Grisan?
You can request a quote for Grisan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grisan?
Yes, KEHONG BIO provides custom synthesis services for Grisan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.