5E-918
TL;DR: 5E-918 (CAS 29107-27-5) is a chemical compound with molecular formula C25H20O6 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzoyloxymethyl)-4-oxo-2H-chromen-3-yl]methyl benzoate
Also Known As: 5E-918, [3-(benzoyloxymethyl)-4-oxo-2H-chromen-3-yl]methyl benzoate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-chromen-3-yl}methyl benzenecarboxylate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl}methyl benzoate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl}methylbenzoate
| Molecular Formula | C25H20O6 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.9621 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.12598 |
| Heavy Atoms | 31 |
| Complexity | 1035.7646 |
Chemical Identifiers
| CAS Number | 29107-27-5 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2O1)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4 |
Product Overview
5E-918 (CAS 29107-27-5), with molecular formula C25H20O6 and molecular weight 416.13 g/mol. IUPAC: [3-(benzoyloxymethyl)-4-oxo-2H-chromen-3-yl]methyl benzoate.
Chemical Property Profile of 5E-918
Property Insights of 5E-918
The XLogP value of 3.9621 indicates that 5E-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-918. Following Lipinski's Rule of Five, 5E-918 has 0 hydrogen bond donor(s) and 6 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 5E-918?
The CAS number of 5E-918 is 29107-27-5.
What is the molecular formula of 5E-918?
The molecular formula of 5E-918 is C25H20O6.
What is the molecular weight of 5E-918?
The molecular weight of 5E-918 is 416.13 g/mol.
Where can I buy 5E-918?
You can request a quote for 5E-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-918?
Yes, KEHONG BIO provides custom synthesis services for 5E-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.