2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol
TL;DR: 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol (CAS 125291-65-8) is a chemical compound with molecular formula C16H28O4 and molecular weight 284.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,5-diol
Also Known As: Koninginin A, NCI60_028493, 2-hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol, 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,5-diol, 2-Hexyloctahydro-2H-3,9a-epoxy-1-benzoxepin-6,9-diol
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 125291-65-8 |
|---|---|
| SMILES | CCCCCCC1C2CCC3C(CCC(C3(O2)O1)O)O |
| InChIKey | GBDGOAVPCDIMFE-UHFFFAOYSA-N |
Product Overview
2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol (CAS 125291-65-8), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: 10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,5-diol.
Chemical Property Profile of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol
Property Insights of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol. With a topological polar surface area (TPSA) of 58.9 Ų, 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol has 2 hydrogen bond donor(s) and 4 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 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol?
The CAS number of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol is 125291-65-8.
What is the molecular formula of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol?
The molecular formula of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol is C16H28O4.
What is the molecular weight of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol?
The molecular weight of 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol is 284.20 g/mol.
Where can I buy 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol?
You can request a quote for 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexyloctahydro-2h-3,9a-epoxy-1-benzoxepine-6,9-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.