Benzyl dibromoacetate
TL;DR: Benzyl dibromoacetate (CAS 64503-07-7) 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.
benzyl 2,2-dibromoacetate
Also Known As: Benzyl dibromoacetate, benzyl 2,2-dibromoacetate, Acetic acid, dibromo-, phenylmethyl ester, Dibromoacetic acid phenylmethyl ester, Acetic acid,2,2-dibromo-,phenylmethyl ester
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.88705 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 64503-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(Br)Br |
| InChIKey | QYFPTUAHIPBRJK-UHFFFAOYSA-N |
Product Overview
Benzyl dibromoacetate (CAS 64503-07-7), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: benzyl 2,2-dibromoacetate.
Chemical Property Profile of Benzyl dibromoacetate
Property Insights of Benzyl dibromoacetate
The XLogP value of 3.6 indicates that Benzyl dibromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl dibromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl dibromoacetate 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 Benzyl dibromoacetate?
The CAS number of Benzyl dibromoacetate is 64503-07-7.
What is the molecular formula of Benzyl dibromoacetate?
The molecular formula of Benzyl dibromoacetate is C9H8Br2O2.
What is the molecular weight of Benzyl dibromoacetate?
The molecular weight of Benzyl dibromoacetate is 305.89 g/mol.
Where can I buy Benzyl dibromoacetate?
You can request a quote for Benzyl dibromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl dibromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl dibromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.