3-Bromo-4-methoxyphenethyl isocyanate
TL;DR: 3-Bromo-4-methoxyphenethyl isocyanate (CAS 480439-05-2) is a chemical compound with molecular formula C10H10BrNO2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(2-isocyanatoethyl)-1-methoxybenzene
Also Known As: 3-Bromo-4-methoxyphenethyl isocyanate, 2-bromo-4-(2-isocyanatoethyl)-1-methoxybenzene, 3-bromo-4-methoxyphenethylisocyanate, 3-Bromo-4-methoxyphenethyl isocyanate,, 3-Bromo-4-methoxyphenethyl isocyanate, 97%
| Molecular Formula | C10H10BrNO2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 2.336 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.98949 |
| Heavy Atoms | 14 |
| Complexity | 359.13968 |
Chemical Identifiers
| CAS Number | 480439-05-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=C=O)Br |
Product Overview
3-Bromo-4-methoxyphenethyl isocyanate (CAS 480439-05-2), with molecular formula C10H10BrNO2 and molecular weight 254.99 g/mol. IUPAC: 2-bromo-4-(2-isocyanatoethyl)-1-methoxybenzene.
Chemical Property Profile of 3-Bromo-4-methoxyphenethyl isocyanate
Property Insights of 3-Bromo-4-methoxyphenethyl isocyanate
The XLogP value of 2.336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-methoxyphenethyl isocyanate. With a topological polar surface area (TPSA) of 38.66 Ų, 3-Bromo-4-methoxyphenethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-methoxyphenethyl isocyanate has 0 hydrogen bond donor(s) and 3 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-4-methoxyphenethyl isocyanate?
The CAS number of 3-Bromo-4-methoxyphenethyl isocyanate is 480439-05-2.
What is the molecular formula of 3-Bromo-4-methoxyphenethyl isocyanate?
The molecular formula of 3-Bromo-4-methoxyphenethyl isocyanate is C10H10BrNO2.
What is the molecular weight of 3-Bromo-4-methoxyphenethyl isocyanate?
The molecular weight of 3-Bromo-4-methoxyphenethyl isocyanate is 254.99 g/mol.
Where can I buy 3-Bromo-4-methoxyphenethyl isocyanate?
You can request a quote for 3-Bromo-4-methoxyphenethyl 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-4-methoxyphenethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-methoxyphenethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.