2,4-Dibromo-5-methoxytoluene
TL;DR: 2,4-Dibromo-5-methoxytoluene (CAS 5456-94-0) is a chemical compound with molecular formula C8H8Br2O and molecular weight 277.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dibromo-2-methoxy-4-methylbenzene
Also Known As: 2,4-Dibromo-5-methoxytoluene, 1,5-Dibromo-2-methoxy-4-methylbenzene, 2,4-Dibromo-5-methylanisole, Benzene, 1,5-dibromo-2-methoxy-4-methyl-, Benzene,1,5-dibromo-2-methoxy-4-methyl-
| Molecular Formula | C8H8Br2O |
|---|---|
| Molecular Weight | 277.89 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.8942 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 5456-94-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)Br)OC |
| InChIKey | CDLNHQVKSMDSAI-UHFFFAOYSA-N |
Product Overview
2,4-Dibromo-5-methoxytoluene (CAS 5456-94-0), with molecular formula C8H8Br2O and molecular weight 277.89 g/mol. IUPAC: 1,5-dibromo-2-methoxy-4-methylbenzene.
Chemical Property Profile of 2,4-Dibromo-5-methoxytoluene
Property Insights of 2,4-Dibromo-5-methoxytoluene
The XLogP value of 3.6 indicates that 2,4-Dibromo-5-methoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,4-Dibromo-5-methoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromo-5-methoxytoluene 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 2,4-Dibromo-5-methoxytoluene?
The CAS number of 2,4-Dibromo-5-methoxytoluene is 5456-94-0.
What is the molecular formula of 2,4-Dibromo-5-methoxytoluene?
The molecular formula of 2,4-Dibromo-5-methoxytoluene is C8H8Br2O.
What is the molecular weight of 2,4-Dibromo-5-methoxytoluene?
The molecular weight of 2,4-Dibromo-5-methoxytoluene is 277.89 g/mol.
Where can I buy 2,4-Dibromo-5-methoxytoluene?
You can request a quote for 2,4-Dibromo-5-methoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromo-5-methoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo-5-methoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.