Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-
TL;DR: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- (CAS 136176-64-2) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2'S,5'S,10R)-5'-(furan-3-yl)-10-methyl-3-oxospiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12)-diene-9,3'-oxolane]-2'-yl] acetate
Also Known As: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-, (2'S,5'S,7R)-5'-(Furan-3-yl)-7-methyl-2-oxo-2,3,4,5,5a,7-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolan]-2'-yl acetate, 5'-(Furan-3-yl)-7-methyl-2-oxo-2,3,4,5,5a,7-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolan]-2'-yl acetate
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 136176-64-2 |
|---|---|
| SMILES | C[C@@H]1C=C2C3=C(CCCC3C14C[C@H](O[C@H]4OC(=O)C)C5=COC=C5)C(=O)O2 |
| InChIKey | SYHVYEXYVVXNPC-FPSHUNOHSA-N |
Product Overview
Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- (CAS 136176-64-2), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: [(2'S,5'S,10R)-5'-(furan-3-yl)-10-methyl-3-oxospiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12)-diene-9,3'-oxolane]-2'-yl] acetate.
Chemical Property Profile of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-
Property Insights of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-. Following Lipinski's Rule of Five, Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- 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 Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-?
The CAS number of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- is 136176-64-2.
What is the molecular formula of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-?
The molecular formula of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- is C21H22O6.
What is the molecular weight of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-?
The molecular weight of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- is 370.14 g/mol.
Where can I buy Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-?
You can request a quote for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2'(4'H)-one, 2-(acetyloxy)-5-(3-furanyl)-3',4,5,5',5'a,7'-hexahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.