3,5-Dibromo-4-methylphenyl acetate
TL;DR: 3,5-Dibromo-4-methylphenyl acetate (CAS 13979-59-4) is a chemical compound with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dibromo-4-methylphenyl) acetate
Also Known As: 3,5-Dibromo-4-methylphenyl acetate, 3,5-Dibromo-4-methylphenylacetate, (3,5-dibromo-4-methylphenyl) acetate, (3,5-dibromo-4-methyl-phenyl) Acetate, Phenol, 3,5-dibromo-4-methyl-, 1-acetate
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 3.44532 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.8891 |
| Heavy Atoms | 13 |
| Complexity | 324.4631 |
Chemical Identifiers
| CAS Number | 13979-59-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Br)OC(=O)C)Br |
Product Overview
3,5-Dibromo-4-methylphenyl acetate (CAS 13979-59-4), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: (3,5-dibromo-4-methylphenyl) acetate.
Chemical Property Profile of 3,5-Dibromo-4-methylphenyl acetate
Property Insights of 3,5-Dibromo-4-methylphenyl acetate
The XLogP value of 3.44532 indicates that 3,5-Dibromo-4-methylphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5-Dibromo-4-methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-4-methylphenyl acetate 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 3,5-Dibromo-4-methylphenyl acetate?
The CAS number of 3,5-Dibromo-4-methylphenyl acetate is 13979-59-4.
What is the molecular formula of 3,5-Dibromo-4-methylphenyl acetate?
The molecular formula of 3,5-Dibromo-4-methylphenyl acetate is C9H8Br2O2.
What is the molecular weight of 3,5-Dibromo-4-methylphenyl acetate?
The molecular weight of 3,5-Dibromo-4-methylphenyl acetate is 305.89 g/mol.
Where can I buy 3,5-Dibromo-4-methylphenyl acetate?
You can request a quote for 3,5-Dibromo-4-methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-4-methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.