1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene
TL;DR: 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene (CAS 1040754-05-9) is a chemical compound with molecular formula C10H10BrN and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(1-isocyanoethyl)-2-methylbenzene
Also Known As: 1-bromo-4-(1-isocyanoethyl)-2-methylbenzene, 1-bromo-4-(1-isocyanoethyl)-2-methyl-benzene
| Molecular Formula | C10H10BrN |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 3.73781 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.99966 |
| Heavy Atoms | 12 |
| Complexity | 325.10074 |
Chemical Identifiers
| CAS Number | 1040754-05-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)[N+]#[C-])Br |
Product Overview
1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene (CAS 1040754-05-9), with molecular formula C10H10BrN and molecular weight 223.00 g/mol. IUPAC: 1-bromo-4-(1-isocyanoethyl)-2-methylbenzene.
Chemical Property Profile of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene
Property Insights of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene
The XLogP value of 3.73781 indicates that 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene has 0 hydrogen bond donor(s) and 0 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-Bromo-4-(1-isocyanoethyl)-2-methylbenzene?
The CAS number of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene is 1040754-05-9.
What is the molecular formula of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene?
The molecular formula of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene is C10H10BrN.
What is the molecular weight of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene?
The molecular weight of 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene is 223.00 g/mol.
Where can I buy 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene?
You can request a quote for 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(1-isocyanoethyl)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.