苯甲酸溴乙酰甲酯
TL;DR: 苯甲酸溴乙酰甲酯 (CAS 6656-59-3) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸溴乙酰甲酯
(3-bromo-2-oxopropyl) benzoate
Also Known As: Bromohydroxyacetone benzoate, 3-bromo-2-oxopropyl benzoate, 1-Benzoyloxy-3-bromopropan-2-one, BENZOIC ACID, BROMOACETYLMETHYL ESTER, (3-bromo-2-oxopropyl) benzoate
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6656-59-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)CBr |
| InChIKey | NAPYNMHLUBOHQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸溴乙酰甲酯 (CAS 6656-59-3), with molecular formula C10H9BrO3 and molecular weight 255.97 g/mol. IUPAC: (3-bromo-2-oxopropyl) benzoate.
Chemical Property Profile of 苯甲酸溴乙酰甲酯
Property Insights of 苯甲酸溴乙酰甲酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸溴乙酰甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 苯甲酸溴乙酰甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸溴乙酰甲酯 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 苯甲酸溴乙酰甲酯?
The CAS number of 苯甲酸溴乙酰甲酯 is 6656-59-3.
What is the molecular formula of 苯甲酸溴乙酰甲酯?
The molecular formula of 苯甲酸溴乙酰甲酯 is C10H9BrO3.
What is the molecular weight of 苯甲酸溴乙酰甲酯?
The molecular weight of 苯甲酸溴乙酰甲酯 is 255.97 g/mol.
Where can I buy 苯甲酸溴乙酰甲酯?
You can request a quote for 苯甲酸溴乙酰甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸溴乙酰甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸溴乙酰甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.