2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene
TL;DR: 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene (CAS 1050507-33-9) 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-1-(1-isocyanoethyl)-4-methoxybenzene
Also Known As: 2-bromo-1-(1-isocyanoethyl)-4-methoxybenzene, 2-bromo-1-(1-isocyanoethyl)-4-methoxy-benzene
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 3.43799 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.99458 |
| Heavy Atoms | 13 |
| Complexity | 343.26825 |
Chemical Identifiers
| CAS Number | 1050507-33-9 |
|---|---|
| SMILES | CC(C1=C(C=C(C=C1)OC)Br)[N+]#[C-] |
Product Overview
2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene (CAS 1050507-33-9), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 2-bromo-1-(1-isocyanoethyl)-4-methoxybenzene.
Chemical Property Profile of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene
Property Insights of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene
The XLogP value of 3.43799 indicates that 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.59 Ų, 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene has 0 hydrogen bond donor(s) and 1 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-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene?
The CAS number of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene is 1050507-33-9.
What is the molecular formula of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene?
The molecular formula of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene is C10H10BrNO.
What is the molecular weight of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene?
The molecular weight of 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene is 238.99 g/mol.
Where can I buy 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene?
You can request a quote for 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(1-isocyanoethyl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.