3-Bromo-2,4,6-trimethylphenyl isocyanate
TL;DR: 3-Bromo-2,4,6-trimethylphenyl isocyanate (CAS 480439-19-8) is a chemical compound with molecular formula C10H10BrNO and molecular weight 238.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-isocyanato-1,3,5-trimethylbenzene
Also Known As: 3-Bromo-2,4,6-trimethylphenyl isocyanate, 2-bromo-4-isocyanato-1,3,5-trimethylbenzene, 2-bromo-4-isocyanato-1,3,5-trimethyl-benzene, 3-BROMO-246-TRIMETHYLPHENYLISOCYANAT&, 3-Bromo-2,4,6-trimethylphenyl isocyanate, 96%
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 3.34166 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.99458 |
| Heavy Atoms | 13 |
| Complexity | 392.4015 |
Chemical Identifiers
| CAS Number | 480439-19-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N=C=O)C)Br)C |
Product Overview
3-Bromo-2,4,6-trimethylphenyl isocyanate (CAS 480439-19-8), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 2-bromo-4-isocyanato-1,3,5-trimethylbenzene.
Chemical Property Profile of 3-Bromo-2,4,6-trimethylphenyl isocyanate
Property Insights of 3-Bromo-2,4,6-trimethylphenyl isocyanate
The XLogP value of 3.34166 indicates that 3-Bromo-2,4,6-trimethylphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 3-Bromo-2,4,6-trimethylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,4,6-trimethylphenyl isocyanate 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 3-Bromo-2,4,6-trimethylphenyl isocyanate?
The CAS number of 3-Bromo-2,4,6-trimethylphenyl isocyanate is 480439-19-8.
What is the molecular formula of 3-Bromo-2,4,6-trimethylphenyl isocyanate?
The molecular formula of 3-Bromo-2,4,6-trimethylphenyl isocyanate is C10H10BrNO.
What is the molecular weight of 3-Bromo-2,4,6-trimethylphenyl isocyanate?
The molecular weight of 3-Bromo-2,4,6-trimethylphenyl isocyanate is 238.99 g/mol.
Where can I buy 3-Bromo-2,4,6-trimethylphenyl isocyanate?
You can request a quote for 3-Bromo-2,4,6-trimethylphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,4,6-trimethylphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,4,6-trimethylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.