1-Chloromethyl-2,4-diisocyanatobenzene
TL;DR: 1-Chloromethyl-2,4-diisocyanatobenzene (CAS 51979-57-8) is a chemical compound with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-2,4-diisocyanatobenzene
Also Known As: 1-Chloromethyl-2,4-diisocyanatobenzene, 1-(chloromethyl)-2,4-diisocyanatobenzene, 1-(chloromethyl)-2,4-diisocyanato-benzene, 1-Chloromethyl-2,4-diisocyanatobenzene, 97%, J2.163.057H
| Molecular Formula | C9H5ClN2O2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.00395 |
| Heavy Atoms | 14 |
| Complexity | 432.43814 |
Chemical Identifiers
| CAS Number | 51979-57-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=O)N=C=O)CCl |
Product Overview
1-Chloromethyl-2,4-diisocyanatobenzene (CAS 51979-57-8), with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol. IUPAC: 1-(chloromethyl)-2,4-diisocyanatobenzene.
Chemical Property Profile of 1-Chloromethyl-2,4-diisocyanatobenzene
Property Insights of 1-Chloromethyl-2,4-diisocyanatobenzene
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloromethyl-2,4-diisocyanatobenzene. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Chloromethyl-2,4-diisocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloromethyl-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-Chloromethyl-2,4-diisocyanatobenzene?
The CAS number of 1-Chloromethyl-2,4-diisocyanatobenzene is 51979-57-8.
What is the molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene?
The molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene is C9H5ClN2O2.
What is the molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene?
The molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene is 208.00 g/mol.
Where can I buy 1-Chloromethyl-2,4-diisocyanatobenzene?
You can request a quote for 1-Chloromethyl-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-Chloromethyl-2,4-diisocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloromethyl-2,4-diisocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.