(2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
TL;DR: (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid (CAS 87627-16-5) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-4-oxochromen-8-yl)acetic acid
Also Known As: 2-(2-cyclohexyl-4-oxochromen-8-yl)acetic acid, (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 87627-16-5 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O |
| InChIKey | IWRSUCYIHRYMGX-UHFFFAOYSA-N |
Product Overview
(2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid (CAS 87627-16-5), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: 2-(2-cyclohexyl-4-oxochromen-8-yl)acetic acid.
Chemical Property Profile of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
Property Insights of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
The XLogP value of 3.2 indicates that (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid. Following Lipinski's Rule of Five, (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid has 1 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 (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The CAS number of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is 87627-16-5.
What is the molecular formula of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The molecular formula of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is C17H18O4.
What is the molecular weight of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The molecular weight of (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is 286.12 g/mol.
Where can I buy (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
You can request a quote for (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Cyclohexyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.