Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester
TL;DR: Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester (CAS 120231-41-6) is a chemical compound with molecular formula C10H8Br4O3 and molecular weight 491.7207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,5,6-tetrabromo-4-methoxyphenyl)methyl acetate
Also Known As: ACETIC ACID 2,3,5,6-TETRABROMO-4-METHOXY-BENZYL ESTER, (2,3,5,6-tetrabromo-4-methoxyphenyl)methyl acetate, (2,3,5,6-tetrabromo-4-methoxy-phenyl)methyl Acetate, 654-406-3
Technical Specifications
| Molecular Formula | C10H8Br4O3 |
| Molecular Weight | 491.7207 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.7207 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | CC(=O)OCC1=C(C(=C(C(=C1Br)Br)OC)Br)Br |
| InChIKey | ZFTKLMYTDGKEIH-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester
Property Insights of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester
The XLogP value of 4.3 indicates that Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester 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
What is the CAS number of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester?
The CAS number of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester is 120231-41-6.
What is the molecular formula of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester?
The molecular formula of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester is C10H8Br4O3.
What is the molecular weight of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester?
The molecular weight of Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester is 491.7207 g/mol.
Where can I buy Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester?
You can request a quote for Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid 2,3,5,6-tetrabromo-4-methoxy-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.