![5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol structure](/static/products/7236/7236-17-1.webp)
5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol
TL;DR: 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol (CAS 7236-17-1) is a chemical compound with molecular formula C21H28Br2O2 and molecular weight 470.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dibromo-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol
Also Known As: 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol
| Molecular Formula | C21H28Br2O2 |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 6.9506 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.04562 |
| Heavy Atoms | 25 |
| Complexity | 727.3416 |
Chemical Identifiers
| CAS Number | 7236-17-1 |
|---|---|
| SMILES | CCCCCC1=C(C(=C2C3C4C(C3(C)C)CCC4(OC2=C1Br)C)O)Br |
Product Overview
5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol (CAS 7236-17-1), with molecular formula C21H28Br2O2 and molecular weight 470.05 g/mol. IUPAC: 4,6-dibromo-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol.
Chemical Property Profile of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol
Property Insights of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol
The XLogP value of 6.9506 indicates that 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol?
The CAS number of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol is 7236-17-1.
What is the molecular formula of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol?
The molecular formula of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol is C21H28Br2O2.
What is the molecular weight of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol?
The molecular weight of 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol is 470.05 g/mol.
Where can I buy 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol?
You can request a quote for 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dibromo-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.