![13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione structure](/static/products/3270/327094-04-2.webp)
13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
TL;DR: 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione (CAS 327094-04-2) is a chemical compound with molecular formula C26H14F2O6 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
Also Known As: 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
| Molecular Formula | C26H14F2O6 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 5.7867 |
| Topological Polar Surface Area | 78.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.07584 |
| Heavy Atoms | 34 |
| Complexity | 1585.6882 |
Chemical Identifiers
| CAS Number | 327094-04-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(C4=C(O3)C5=CC=CC=C5OC4=O)C6=CC=C(C=C6)OC(F)F)C(=O)O2 |
Product Overview
13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione (CAS 327094-04-2), with molecular formula C26H14F2O6 and molecular weight 460.08 g/mol. IUPAC: 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione.
Chemical Property Profile of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
Property Insights of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
The XLogP value of 5.7867 indicates that 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione. Following Lipinski's Rule of Five, 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione?
The CAS number of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione is 327094-04-2.
What is the molecular formula of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione?
The molecular formula of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione is C26H14F2O6.
What is the molecular weight of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione?
The molecular weight of 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione is 460.08 g/mol.
Where can I buy 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione?
You can request a quote for 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione?
Yes, KEHONG BIO provides custom synthesis services for 13-[4-(difluoromethoxy)phenyl]-2,10,16-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.