4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-
TL;DR: 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- (CAS 85643-96-5) is a chemical compound with molecular formula C26H32O6 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12-dione
Also Known As: 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-, 1-(Furan-3-yl)-4b,7,7,14a-tetramethyl-3,4b,6a,7,12b,13,14,14a-octahydro-1H,8aH,12H-pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[2,1-c]pyran-5,10(6H,9H)-dione, Octahydro-4,7-methano-1H-indenecarboxylic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
| Molecular Formula | C26H32O6 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.21988 |
| Heavy Atoms | 32 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 85643-96-5 |
|---|---|
| SMILES | CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CCOC5C6=COC=C6)C)C)C |
| InChIKey | WYJTYRRIBGMPCO-UHFFFAOYSA-N |
Product Overview
4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- (CAS 85643-96-5), with molecular formula C26H32O6 and molecular weight 440.22 g/mol. IUPAC: 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12-dione.
Chemical Property Profile of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-
Property Insights of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-. Following Lipinski's Rule of Five, 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- 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 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-?
The CAS number of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- is 85643-96-5.
What is the molecular formula of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-?
The molecular formula of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- is C26H32O6.
What is the molecular weight of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-?
The molecular weight of 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- is 440.22 g/mol.
Where can I buy 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-?
You can request a quote for 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)-?
Yes, KEHONG BIO provides custom synthesis services for 4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.