1,3,5-Triiodo-2-isocyanatobenzene
TL;DR: 1,3,5-Triiodo-2-isocyanatobenzene (CAS 409316-94-5) is a chemical compound with molecular formula C7H2I3NO and molecular weight 496.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triiodo-2-isocyanatobenzene
Also Known As: 1,3,5-triiodo-2-isocyanato-benzene, 1,3,5-triiodo-2-isocyanatobenzene
| Molecular Formula | C7H2I3NO |
|---|---|
| Molecular Weight | 496.73 g/mol |
| LogP | 3.4677 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 496.7271 |
| Heavy Atoms | 12 |
| Complexity | 334.66428 |
Chemical Identifiers
| CAS Number | 409316-94-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)N=C=O)I)I |
Product Overview
1,3,5-Triiodo-2-isocyanatobenzene (CAS 409316-94-5), with molecular formula C7H2I3NO and molecular weight 496.73 g/mol. IUPAC: 1,3,5-triiodo-2-isocyanatobenzene.
Chemical Property Profile of 1,3,5-Triiodo-2-isocyanatobenzene
Property Insights of 1,3,5-Triiodo-2-isocyanatobenzene
The XLogP value of 3.4677 indicates that 1,3,5-Triiodo-2-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1,3,5-Triiodo-2-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Triiodo-2-isocyanatobenzene 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 1,3,5-Triiodo-2-isocyanatobenzene?
The CAS number of 1,3,5-Triiodo-2-isocyanatobenzene is 409316-94-5.
What is the molecular formula of 1,3,5-Triiodo-2-isocyanatobenzene?
The molecular formula of 1,3,5-Triiodo-2-isocyanatobenzene is C7H2I3NO.
What is the molecular weight of 1,3,5-Triiodo-2-isocyanatobenzene?
The molecular weight of 1,3,5-Triiodo-2-isocyanatobenzene is 496.73 g/mol.
Where can I buy 1,3,5-Triiodo-2-isocyanatobenzene?
You can request a quote for 1,3,5-Triiodo-2-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triiodo-2-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triiodo-2-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.