![3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate structure](/static/products/3519/35191-42-5.webp)
3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
TL;DR: 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate (CAS 35191-42-5) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,14-dimethyl-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl) acetate
Also Known As: 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate, 3',8'a-Dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 35191-42-5 |
|---|---|
| SMILES | CC1C2C(CC3(CO3)C4CC5C(C4C2OC1=O)(O5)C)OC(=O)C |
| InChIKey | GUPJMHQKUBEDJH-UHFFFAOYSA-N |
Product Overview
3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate (CAS 35191-42-5), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: (5,14-dimethyl-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl) acetate.
Chemical Property Profile of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
Property Insights of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate. Following Lipinski's Rule of Five, 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate 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 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate?
The CAS number of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate is 35191-42-5.
What is the molecular formula of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate?
The molecular formula of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate is C17H22O6.
What is the molecular weight of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate?
The molecular weight of 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate is 322.14 g/mol.
Where can I buy 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate?
You can request a quote for 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.