![4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene structure](/static/products/108/108959-01-9.png)
4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene
TL;DR: 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene (CAS 108959-01-9) is a chemical compound with molecular formula C10H11IN2 and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Also Known As: 4'-iodobenzo-1,4-diazabicyclooctene, 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene, 4-iodo-1,8-diazatricyclo[6.2.2.0<2,7>]dodeca-2(7),3,5-triene, 4-iodo-1,8-diazatricyclo[6.2.2.0~2,7~]dodeca-2,4,6-triene
| Molecular Formula | C10H11IN2 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.9967 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 108959-01-9 |
|---|---|
| SMILES | C1CN2CCN1C3=C2C=C(C=C3)I |
| InChIKey | OJBVOZMWHNCUHG-UHFFFAOYSA-N |
Product Overview
4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene (CAS 108959-01-9), with molecular formula C10H11IN2 and molecular weight 286.00 g/mol. IUPAC: 4-iodo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene.
Chemical Property Profile of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene
Property Insights of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene. With a topological polar surface area (TPSA) of 6.5 Ų, 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene 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 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene?
The CAS number of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene is 108959-01-9.
What is the molecular formula of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene?
The molecular formula of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene is C10H11IN2.
What is the molecular weight of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene?
The molecular weight of 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene is 286.00 g/mol.
Where can I buy 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene?
You can request a quote for 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene?
Yes, KEHONG BIO provides custom synthesis services for 4'-Iodobenzo[1',2'-b]-1,4-diazabicyclo[2.2.2]octene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.