2H-chromene-2,4(3H)-dione
TL;DR: 2H-chromene-2,4(3H)-dione (CAS 4438-85-1) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromene-2,4-dione
Also Known As: 2H-chromene-2,4(3H)-dione, chroman-2,4-dione, chromene-2,4-dione, 4-Hydroxycoumarin, chromane-2,4-dione
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.1784 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 354.5462 |
Chemical Identifiers
| CAS Number | 4438-85-1 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2OC1=O |
Product Overview
2H-chromene-2,4(3H)-dione (CAS 4438-85-1), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: chromene-2,4-dione.
Chemical Property Profile of 2H-chromene-2,4(3H)-dione
Property Insights of 2H-chromene-2,4(3H)-dione
The XLogP value of 1.1784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-chromene-2,4(3H)-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 2H-chromene-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-chromene-2,4(3H)-dione has 0 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 2H-chromene-2,4(3H)-dione?
The CAS number of 2H-chromene-2,4(3H)-dione is 4438-85-1.
What is the molecular formula of 2H-chromene-2,4(3H)-dione?
The molecular formula of 2H-chromene-2,4(3H)-dione is C9H6O3.
What is the molecular weight of 2H-chromene-2,4(3H)-dione?
The molecular weight of 2H-chromene-2,4(3H)-dione is 162.03 g/mol.
Where can I buy 2H-chromene-2,4(3H)-dione?
You can request a quote for 2H-chromene-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-chromene-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2H-chromene-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.