12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
TL;DR: 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine (CAS 172792-52-8) is a chemical compound with molecular formula C12H14Br2O4 and molecular weight 379.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,15-dibromo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene
Also Known As: J1.132.754K, 12,13-dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine, 12,13-Dibromo-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine, 12,13-dibromo-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene, 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin
| Molecular Formula | C12H14Br2O4 |
|---|---|
| Molecular Weight | 379.93 g/mol |
| LogP | 3.016 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 379.92587 |
| Heavy Atoms | 18 |
| Complexity | 360.90897 |
Chemical Identifiers
| CAS Number | 172792-52-8 |
|---|---|
| SMILES | C1COCCOC2=CC(=C(C=C2OCCO1)Br)Br |
Product Overview
12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine (CAS 172792-52-8), with molecular formula C12H14Br2O4 and molecular weight 379.93 g/mol. IUPAC: 14,15-dibromo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene.
Chemical Property Profile of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
Property Insights of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
The XLogP value of 3.016 indicates that 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.92 Ų, 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine has 0 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 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine?
The CAS number of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine is 172792-52-8.
What is the molecular formula of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine?
The molecular formula of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine is C12H14Br2O4.
What is the molecular weight of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine?
The molecular weight of 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine is 379.93 g/mol.
Where can I buy 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine?
You can request a quote for 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Dibromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.