![6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione structure](/static/products/1048/104854-89-9.webp)
6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
TL;DR: 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione (CAS 104854-89-9) is a chemical compound with molecular formula C15H12O3S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-propylsulfanyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione, 10-(propylsulfanyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 8-propylsulfanyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
| Molecular Formula | C15H12O3S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.05072 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 104854-89-9 |
|---|---|
| SMILES | CCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)OC3=O |
| InChIKey | MPIOOAJULZOOBA-UHFFFAOYSA-N |
Product Overview
6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione (CAS 104854-89-9), with molecular formula C15H12O3S and molecular weight 272.05 g/mol. IUPAC: 8-propylsulfanyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Property Insights of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
The XLogP value of 3.9 indicates that 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione. Following Lipinski's Rule of Five, 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione has 0 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 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The CAS number of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is 104854-89-9.
What is the molecular formula of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The molecular formula of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is C15H12O3S.
What is the molecular weight of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
The molecular weight of 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione is 272.05 g/mol.
Where can I buy 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
You can request a quote for 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(propylthio)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.