1-Iodo-3-isocyanatobenzene
TL;DR: 1-Iodo-3-isocyanatobenzene (CAS 23138-56-9) is a chemical compound with molecular formula C7H4INO and molecular weight 244.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-3-isocyanatobenzene
Also Known As: 3-Iodophenyl isocyanate, 1-iodo-3-isocyanatobenzene, 3-iodophenylisocyanate, Benzene, 1-iodo-3-isocyanato-, 1-iodo-3-isocyanato-benzene
| Molecular Formula | C7H4INO |
|---|---|
| Molecular Weight | 244.93 g/mol |
| LogP | 2.2585 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.93376 |
| Heavy Atoms | 10 |
| Complexity | 278.6895 |
Chemical Identifiers
| CAS Number | 23138-56-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)N=C=O |
Product Overview
1-Iodo-3-isocyanatobenzene (CAS 23138-56-9), with molecular formula C7H4INO and molecular weight 244.93 g/mol. IUPAC: 1-iodo-3-isocyanatobenzene.
Chemical Property Profile of 1-Iodo-3-isocyanatobenzene
Property Insights of 1-Iodo-3-isocyanatobenzene
The XLogP value of 2.2585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Iodo-3-isocyanatobenzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Iodo-3-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-3-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-Iodo-3-isocyanatobenzene?
The CAS number of 1-Iodo-3-isocyanatobenzene is 23138-56-9.
What is the molecular formula of 1-Iodo-3-isocyanatobenzene?
The molecular formula of 1-Iodo-3-isocyanatobenzene is C7H4INO.
What is the molecular weight of 1-Iodo-3-isocyanatobenzene?
The molecular weight of 1-Iodo-3-isocyanatobenzene is 244.93 g/mol.
Where can I buy 1-Iodo-3-isocyanatobenzene?
You can request a quote for 1-Iodo-3-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-3-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-3-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.