4-Bromo-6-methyl-1,3-phenylene diisocyanate
TL;DR: 4-Bromo-6-methyl-1,3-phenylene diisocyanate (CAS 55206-98-9) is a chemical compound with molecular formula C9H5BrN2O2 and molecular weight 251.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,4-diisocyanato-5-methylbenzene
Also Known As: 2,4-Diisocyanato-5-methyl-bromobenzene, 1-bromo-2,4-diisocyanato-5-methylbenzene, 1-bromo-2,4-diisocyanato-5-methyl-benzene, 4-bromo-6-methyl-1,3-phenylene diisocyanate, 6-bromo-4-methyl-1,3-phenylene diisocyanate
| Molecular Formula | C9H5BrN2O2 |
|---|---|
| Molecular Weight | 251.95 g/mol |
| LogP | 2.69212 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.95345 |
| Heavy Atoms | 14 |
| Complexity | 418.8749 |
Chemical Identifiers
| CAS Number | 55206-98-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=C=O)N=C=O)Br |
Product Overview
4-Bromo-6-methyl-1,3-phenylene diisocyanate (CAS 55206-98-9), with molecular formula C9H5BrN2O2 and molecular weight 251.95 g/mol. IUPAC: 1-bromo-2,4-diisocyanato-5-methylbenzene.
Chemical Property Profile of 4-Bromo-6-methyl-1,3-phenylene diisocyanate
Property Insights of 4-Bromo-6-methyl-1,3-phenylene diisocyanate
The XLogP value of 2.69212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-6-methyl-1,3-phenylene diisocyanate. With a topological polar surface area (TPSA) of 58.86 Ų, 4-Bromo-6-methyl-1,3-phenylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-6-methyl-1,3-phenylene diisocyanate 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 4-Bromo-6-methyl-1,3-phenylene diisocyanate?
The CAS number of 4-Bromo-6-methyl-1,3-phenylene diisocyanate is 55206-98-9.
What is the molecular formula of 4-Bromo-6-methyl-1,3-phenylene diisocyanate?
The molecular formula of 4-Bromo-6-methyl-1,3-phenylene diisocyanate is C9H5BrN2O2.
What is the molecular weight of 4-Bromo-6-methyl-1,3-phenylene diisocyanate?
The molecular weight of 4-Bromo-6-methyl-1,3-phenylene diisocyanate is 251.95 g/mol.
Where can I buy 4-Bromo-6-methyl-1,3-phenylene diisocyanate?
You can request a quote for 4-Bromo-6-methyl-1,3-phenylene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-6-methyl-1,3-phenylene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-6-methyl-1,3-phenylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.