1,4-Difluoro-2-isocyanatobenzene
TL;DR: 1,4-Difluoro-2-isocyanatobenzene (CAS 39718-32-6) is a chemical compound with molecular formula C7H3F2NO and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-difluoro-2-isocyanatobenzene
Also Known As: 2,5-Difluorophenyl isocyanate, 1,4-difluoro-2-isocyanatobenzene, 2,5-Difluorophenylisocyanate, 2,5-difluorobenzenisocyanate, Benzene, 1,4-difluoro-2-isocyanato-
| Molecular Formula | C7H3F2NO |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 1.9321 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.01826 |
| Heavy Atoms | 11 |
| Complexity | 318.21664 |
Chemical Identifiers
| CAS Number | 39718-32-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)N=C=O)F |
Product Overview
1,4-Difluoro-2-isocyanatobenzene (CAS 39718-32-6), with molecular formula C7H3F2NO and molecular weight 155.02 g/mol. IUPAC: 1,4-difluoro-2-isocyanatobenzene.
Chemical Property Profile of 1,4-Difluoro-2-isocyanatobenzene
Property Insights of 1,4-Difluoro-2-isocyanatobenzene
The XLogP value of 1.9321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Difluoro-2-isocyanatobenzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1,4-Difluoro-2-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Difluoro-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 1,4-Difluoro-2-isocyanatobenzene?
The CAS number of 1,4-Difluoro-2-isocyanatobenzene is 39718-32-6.
What is the molecular formula of 1,4-Difluoro-2-isocyanatobenzene?
The molecular formula of 1,4-Difluoro-2-isocyanatobenzene is C7H3F2NO.
What is the molecular weight of 1,4-Difluoro-2-isocyanatobenzene?
The molecular weight of 1,4-Difluoro-2-isocyanatobenzene is 155.02 g/mol.
Where can I buy 1,4-Difluoro-2-isocyanatobenzene?
You can request a quote for 1,4-Difluoro-2-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Difluoro-2-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Difluoro-2-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.