![(5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide structure](/static/products/1060/106087-94-9.webp)
(5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide
TL;DR: (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide (CAS 106087-94-9) is a chemical compound with molecular formula C13H20O3S and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-oxa-3λ6-thiatetracyclo[7.3.1.17,11.01,5]tetradecane 3,3-dioxide
Also Known As: (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide, 4-methyl-2-oxa-3lambda6-thiatetracyclo[7.3.1.17,11.01,5]tetradecane 3,3-dioxide, 3-Methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide, 4-METHYL-2-OXA-3??-THIATETRACYCLO[7.3.1.1?,(1)(1).0(1),?]TETRADECANE-3,3-DIONE, 4-methyl-2-oxa-3-thiatetracyclo[7.3.1.1~7,11~.0~1,5~]tetradecane 3,3-dioxide (non-preferred name)
| Molecular Formula | C13H20O3S |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 2.3199 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.1133 |
| Heavy Atoms | 17 |
| Complexity | 441.28503 |
Chemical Identifiers
| CAS Number | 106087-94-9 |
|---|---|
| SMILES | CC1C2CC3CC4CC(C3)CC2(C4)OS1(=O)=O |
Product Overview
(5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide (CAS 106087-94-9), with molecular formula C13H20O3S and molecular weight 256.11 g/mol. IUPAC: 4-methyl-2-oxa-3λ6-thiatetracyclo[7.3.1.17,11.01,5]tetradecane 3,3-dioxide.
Chemical Property Profile of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide
Property Insights of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide
The XLogP value of 2.3199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide. With a topological polar surface area (TPSA) of 43.37 Ų, (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide has 0 hydrogen bond donor(s) and 3 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 (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide?
The CAS number of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide is 106087-94-9.
What is the molecular formula of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide?
The molecular formula of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide is C13H20O3S.
What is the molecular weight of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide?
The molecular weight of (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide is 256.11 g/mol.
Where can I buy (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide?
You can request a quote for (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (5r,7R,9S,10ar)-3-methyloctahydro-3H-5,9:7,10a-dimethanocyclonona[d][1,2]oxathiole 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.