1-Chloro-2,4-diisocyanatobenzene
TL;DR: 1-Chloro-2,4-diisocyanatobenzene (CAS 4998-28-1) is a chemical compound with molecular formula C8H3ClN2O2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,4-diisocyanatobenzene
Also Known As: 1-chloro-2,4-diisocyanatobenzene, 2,4-diisocyanato-1-chlorobenzene, 4-chloro-1,3-phenylene diisocyanate, 4-Chlorobenzene-1,3-diyldiisocyanate, RefChem:229243
| Molecular Formula | C8H3ClN2O2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.98831 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 4998-28-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=O)N=C=O)Cl |
| InChIKey | SZBXTBGNJLZMHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,4-diisocyanatobenzene (CAS 4998-28-1), with molecular formula C8H3ClN2O2 and molecular weight 193.99 g/mol. IUPAC: 1-chloro-2,4-diisocyanatobenzene.
Chemical Property Profile of 1-Chloro-2,4-diisocyanatobenzene
Property Insights of 1-Chloro-2,4-diisocyanatobenzene
The XLogP value of 4.2 indicates that 1-Chloro-2,4-diisocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1-Chloro-2,4-diisocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,4-diisocyanatobenzene has 0 hydrogen bond donor(s) and 4 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-Chloro-2,4-diisocyanatobenzene?
The CAS number of 1-Chloro-2,4-diisocyanatobenzene is 4998-28-1.
What is the molecular formula of 1-Chloro-2,4-diisocyanatobenzene?
The molecular formula of 1-Chloro-2,4-diisocyanatobenzene is C8H3ClN2O2.
What is the molecular weight of 1-Chloro-2,4-diisocyanatobenzene?
The molecular weight of 1-Chloro-2,4-diisocyanatobenzene is 193.99 g/mol.
Where can I buy 1-Chloro-2,4-diisocyanatobenzene?
You can request a quote for 1-Chloro-2,4-diisocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,4-diisocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,4-diisocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.