(2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
TL;DR: (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid (CAS 87627-18-7) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzyl-4-oxochromen-8-yl)acetic acid
Also Known As: 2-(2-benzyl-4-oxochromen-8-yl)acetic acid, 2-(2-Benzyl-4-oxo-4H-chromen-8-yl)acetic acid, (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid, 4H-1-Benzopyran-8-aceticacid,4-oxo-2-(phenylmethyl), 4H-1-Benzopyran-8-aceticacid, 4-oxo-2-(phenylmethyl)-
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 87627-18-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O |
| InChIKey | VGVJLJSWNHDQNR-UHFFFAOYSA-N |
Product Overview
(2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid (CAS 87627-18-7), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: 2-(2-benzyl-4-oxochromen-8-yl)acetic acid.
Chemical Property Profile of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
Property Insights of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid. Following Lipinski's Rule of Five, (2-Benzyl-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-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The CAS number of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is 87627-18-7.
What is the molecular formula of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The molecular formula of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is C18H14O4.
What is the molecular weight of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
The molecular weight of (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid is 294.09 g/mol.
Where can I buy (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
You can request a quote for (2-Benzyl-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-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzyl-4-oxo-4H-1-benzopyran-8-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.