2,6-Dibromo-4-Isopropylphenyl Isocyanate
TL;DR: 2,6-Dibromo-4-Isopropylphenyl Isocyanate (CAS 306935-84-2) is a chemical compound with molecular formula C10H9Br2NO and molecular weight 316.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-2-isocyanato-5-propan-2-ylbenzene
Also Known As: 2,6-Dibromo-4-Isopropylphenyl Isocyanate, 1,3-dibromo-2-isocyanato-5-propan-2-ylbenzene, 2,6-Dibromo-4-isopropylphenylisocyanate, 1,3-dibromo-2-isocyanato-5-isopropylbenzene, Benzene, 1,3-dibromo-2-isocyanato-5-(1-methylethyl)-
| Molecular Formula | C10H9Br2NO |
|---|---|
| Molecular Weight | 316.91 g/mol |
| LogP | 4.3023 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.9051 |
| Heavy Atoms | 14 |
| Complexity | 372.10364 |
Chemical Identifiers
| CAS Number | 306935-84-2 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)Br)N=C=O)Br |
Product Overview
2,6-Dibromo-4-Isopropylphenyl Isocyanate (CAS 306935-84-2), with molecular formula C10H9Br2NO and molecular weight 316.91 g/mol. IUPAC: 1,3-dibromo-2-isocyanato-5-propan-2-ylbenzene.
Chemical Property Profile of 2,6-Dibromo-4-Isopropylphenyl Isocyanate
Property Insights of 2,6-Dibromo-4-Isopropylphenyl Isocyanate
The XLogP value of 4.3023 indicates that 2,6-Dibromo-4-Isopropylphenyl 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, 2,6-Dibromo-4-Isopropylphenyl Isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-4-Isopropylphenyl 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 2,6-Dibromo-4-Isopropylphenyl Isocyanate?
The CAS number of 2,6-Dibromo-4-Isopropylphenyl Isocyanate is 306935-84-2.
What is the molecular formula of 2,6-Dibromo-4-Isopropylphenyl Isocyanate?
The molecular formula of 2,6-Dibromo-4-Isopropylphenyl Isocyanate is C10H9Br2NO.
What is the molecular weight of 2,6-Dibromo-4-Isopropylphenyl Isocyanate?
The molecular weight of 2,6-Dibromo-4-Isopropylphenyl Isocyanate is 316.91 g/mol.
Where can I buy 2,6-Dibromo-4-Isopropylphenyl Isocyanate?
You can request a quote for 2,6-Dibromo-4-Isopropylphenyl Isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-4-Isopropylphenyl Isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-Isopropylphenyl Isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.