3A,7A-Dimethyloctahydro-4-isobenzofuranol
TL;DR: 3A,7A-Dimethyloctahydro-4-isobenzofuranol (CAS 54382-58-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-ol
Also Known As: 3a,7a-Dimethyloctahydro-2-benzofuran-4-ol, 3A,7A-DIMETHYLOCTAHYDRO-4-ISOBENZOFURANOL, 3a,7a-Dimethyloctahydro-2-benzofuran-4-ol #, 3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-ol, 4-Isobenzofuranol, octahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7a.alpha.)-(.+.)-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 54382-58-0 |
|---|---|
| SMILES | CC12CCCC(C1(COC2)C)O |
| InChIKey | QWWNJHWMCCBFHT-UHFFFAOYSA-N |
Product Overview
3A,7A-Dimethyloctahydro-4-isobenzofuranol (CAS 54382-58-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-4-ol.
Chemical Property Profile of 3A,7A-Dimethyloctahydro-4-isobenzofuranol
Property Insights of 3A,7A-Dimethyloctahydro-4-isobenzofuranol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3A,7A-Dimethyloctahydro-4-isobenzofuranol. With a topological polar surface area (TPSA) of 29.5 Ų, 3A,7A-Dimethyloctahydro-4-isobenzofuranol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3A,7A-Dimethyloctahydro-4-isobenzofuranol has 1 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 3A,7A-Dimethyloctahydro-4-isobenzofuranol?
The CAS number of 3A,7A-Dimethyloctahydro-4-isobenzofuranol is 54382-58-0.
What is the molecular formula of 3A,7A-Dimethyloctahydro-4-isobenzofuranol?
The molecular formula of 3A,7A-Dimethyloctahydro-4-isobenzofuranol is C10H18O2.
What is the molecular weight of 3A,7A-Dimethyloctahydro-4-isobenzofuranol?
The molecular weight of 3A,7A-Dimethyloctahydro-4-isobenzofuranol is 170.13 g/mol.
Where can I buy 3A,7A-Dimethyloctahydro-4-isobenzofuranol?
You can request a quote for 3A,7A-Dimethyloctahydro-4-isobenzofuranol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3A,7A-Dimethyloctahydro-4-isobenzofuranol?
Yes, KEHONG BIO provides custom synthesis services for 3A,7A-Dimethyloctahydro-4-isobenzofuranol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.