3-Iododizocilpine
TL;DR: 3-Iododizocilpine (CAS 119508-63-3) is a chemical compound with molecular formula C16H14IN and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(125I)iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
Also Known As: 3-Iododizocilpine, 3-Iodo-MK-801, 3-(~125~I)Iodo-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 4-(125I)iodanyl-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene, RefChem:94461
| Molecular Formula | C16H14IN |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.01727 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 119508-63-3 |
|---|---|
| SMILES | CC12C3=CC=CC=C3C(N1)CC4=C2C=C(C=C4)[125I] |
| InChIKey | RRYINJUHCRONBF-QZIRHQCUSA-N |
Product Overview
3-Iododizocilpine (CAS 119508-63-3), with molecular formula C16H14IN and molecular weight 345.02 g/mol. IUPAC: 4-(125I)iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene.
Chemical Property Profile of 3-Iododizocilpine
Property Insights of 3-Iododizocilpine
The XLogP value of 3.5 indicates that 3-Iododizocilpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-Iododizocilpine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iododizocilpine has 1 hydrogen bond donor(s) and 1 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 3-Iododizocilpine?
The CAS number of 3-Iododizocilpine is 119508-63-3.
What is the molecular formula of 3-Iododizocilpine?
The molecular formula of 3-Iododizocilpine is C16H14IN.
What is the molecular weight of 3-Iododizocilpine?
The molecular weight of 3-Iododizocilpine is 345.02 g/mol.
Where can I buy 3-Iododizocilpine?
You can request a quote for 3-Iododizocilpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iododizocilpine?
Yes, KEHONG BIO provides custom synthesis services for 3-Iododizocilpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.