5-Chloro-2-phenoxyphenyl isocyanate
TL;DR: 5-Chloro-2-phenoxyphenyl isocyanate (CAS 85385-33-7) is a chemical compound with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-isocyanato-1-phenoxybenzene
Also Known As: 5-Chloro-2-phenoxyphenyl isocyanate, 4-chloro-2-isocyanato-1-phenoxybenzene, starbld0026732, 5-chloro-2-phenoxyphenylisocyanate, 4-Chloro-2-isocyanatophenyl phenyl ether
| Molecular Formula | C13H8ClNO2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 4.0996 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.02435 |
| Heavy Atoms | 17 |
| Complexity | 562.8871 |
Chemical Identifiers
| CAS Number | 85385-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N=C=O |
Product Overview
5-Chloro-2-phenoxyphenyl isocyanate (CAS 85385-33-7), with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol. IUPAC: 4-chloro-2-isocyanato-1-phenoxybenzene.
Chemical Property Profile of 5-Chloro-2-phenoxyphenyl isocyanate
Property Insights of 5-Chloro-2-phenoxyphenyl isocyanate
The XLogP value of 4.0996 indicates that 5-Chloro-2-phenoxyphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 5-Chloro-2-phenoxyphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-phenoxyphenyl isocyanate has 0 hydrogen bond donor(s) and 3 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 5-Chloro-2-phenoxyphenyl isocyanate?
The CAS number of 5-Chloro-2-phenoxyphenyl isocyanate is 85385-33-7.
What is the molecular formula of 5-Chloro-2-phenoxyphenyl isocyanate?
The molecular formula of 5-Chloro-2-phenoxyphenyl isocyanate is C13H8ClNO2.
What is the molecular weight of 5-Chloro-2-phenoxyphenyl isocyanate?
The molecular weight of 5-Chloro-2-phenoxyphenyl isocyanate is 245.02 g/mol.
Where can I buy 5-Chloro-2-phenoxyphenyl isocyanate?
You can request a quote for 5-Chloro-2-phenoxyphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-phenoxyphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-phenoxyphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.