1,3-Dibromo-5-ethyl-2-isocyanatobenzene
TL;DR: 1,3-Dibromo-5-ethyl-2-isocyanatobenzene (CAS 77159-78-5) is a chemical compound with molecular formula C9H7Br2NO and molecular weight 302.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-5-ethyl-2-isocyanatobenzene
Also Known As: 1,3-dibromo-5-ethyl-2-isocyanatobenzene, 1,3-dibromo-5-ethyl-2-isocyanato-benzene
| Molecular Formula | C9H7Br2NO |
|---|---|
| Molecular Weight | 302.89 g/mol |
| LogP | 3.7413 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.88943 |
| Heavy Atoms | 13 |
| Complexity | 346.87262 |
Chemical Identifiers
| CAS Number | 77159-78-5 |
|---|---|
| SMILES | CCC1=CC(=C(C(=C1)Br)N=C=O)Br |
Product Overview
1,3-Dibromo-5-ethyl-2-isocyanatobenzene (CAS 77159-78-5), with molecular formula C9H7Br2NO and molecular weight 302.89 g/mol. IUPAC: 1,3-dibromo-5-ethyl-2-isocyanatobenzene.
Chemical Property Profile of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene
Property Insights of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene
The XLogP value of 3.7413 indicates that 1,3-Dibromo-5-ethyl-2-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1,3-Dibromo-5-ethyl-2-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromo-5-ethyl-2-isocyanatobenzene 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 1,3-Dibromo-5-ethyl-2-isocyanatobenzene?
The CAS number of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene is 77159-78-5.
What is the molecular formula of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene?
The molecular formula of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene is C9H7Br2NO.
What is the molecular weight of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene?
The molecular weight of 1,3-Dibromo-5-ethyl-2-isocyanatobenzene is 302.89 g/mol.
Where can I buy 1,3-Dibromo-5-ethyl-2-isocyanatobenzene?
You can request a quote for 1,3-Dibromo-5-ethyl-2-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibromo-5-ethyl-2-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibromo-5-ethyl-2-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.