(3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
TL;DR: (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one (CAS 17351-10-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
Also Known As: 3,3-dimethylnorbornane-2-carboxaldehyde, (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.1282 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 207.88412 |
Chemical Identifiers
| CAS Number | 17351-10-9 |
|---|---|
| SMILES | CC1([C@H]2CCCC[C@H]2C(=O)O1)C |
Product Overview
(3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one (CAS 17351-10-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one.
Chemical Property Profile of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
Property Insights of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
The XLogP value of 2.1282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one has 0 hydrogen bond donor(s) and 2 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 (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one?
The CAS number of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one is 17351-10-9.
What is the molecular formula of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one?
The molecular formula of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one is C10H16O2.
What is the molecular weight of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one?
The molecular weight of (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one is 168.12 g/mol.
Where can I buy (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one?
You can request a quote for (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.