5E-917
TL;DR: 5E-917 (CAS 338755-77-4) is a chemical compound with molecular formula C25H20O5S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzoyloxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl benzoate
Also Known As: 5E-917, [3-(benzoyloxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl benzoate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-thiochromen-3-yl}methyl benzenecarboxylate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl}methyl benzoate, {3-[(benzoyloxy)methyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl}methylbenzoate
| Molecular Formula | C25H20O5S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 4.6754 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.10315 |
| Heavy Atoms | 31 |
| Complexity | 1039.6648 |
Chemical Identifiers
| CAS Number | 338755-77-4 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2S1)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4 |
Product Overview
5E-917 (CAS 338755-77-4), with molecular formula C25H20O5S and molecular weight 432.10 g/mol. IUPAC: [3-(benzoyloxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl benzoate.
Chemical Property Profile of 5E-917
Property Insights of 5E-917
The XLogP value of 4.6754 indicates that 5E-917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-917. Following Lipinski's Rule of Five, 5E-917 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-917?
The CAS number of 5E-917 is 338755-77-4.
What is the molecular formula of 5E-917?
The molecular formula of 5E-917 is C25H20O5S.
What is the molecular weight of 5E-917?
The molecular weight of 5E-917 is 432.10 g/mol.
Where can I buy 5E-917?
You can request a quote for 5E-917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-917?
Yes, KEHONG BIO provides custom synthesis services for 5E-917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.