4-(Bromomethyl)benzoylformate
TL;DR: 4-(Bromomethyl)benzoylformate (CAS 102047-01-8) is a chemical compound with molecular formula C9H6BrO3- and molecular weight 240.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(bromomethyl)phenyl]-2-oxoacetate
Also Known As: Brmebf, 4-(Bromomethyl)benzoylformate, 2-[4-(bromomethyl)phenyl]-2-oxoacetate, [4-(Bromomethyl)phenyl](oxo)acetate, Benzeneacetic acid,4-(bromomethyl)-a-oxo-
| Molecular Formula | C9H6BrO3- |
|---|---|
| Molecular Weight | 240.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.95003 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 102047-01-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)C(=O)C(=O)[O-] |
| InChIKey | NTHQMPYWKFRXOM-UHFFFAOYSA-M |
Product Overview
4-(Bromomethyl)benzoylformate (CAS 102047-01-8), with molecular formula C9H6BrO3- and molecular weight 240.95 g/mol. IUPAC: 2-[4-(bromomethyl)phenyl]-2-oxoacetate.
Chemical Property Profile of 4-(Bromomethyl)benzoylformate
Property Insights of 4-(Bromomethyl)benzoylformate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)benzoylformate. With a topological polar surface area (TPSA) of 57.2 Ų, 4-(Bromomethyl)benzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)benzoylformate 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 4-(Bromomethyl)benzoylformate?
The CAS number of 4-(Bromomethyl)benzoylformate is 102047-01-8.
What is the molecular formula of 4-(Bromomethyl)benzoylformate?
The molecular formula of 4-(Bromomethyl)benzoylformate is C9H6BrO3-.
What is the molecular weight of 4-(Bromomethyl)benzoylformate?
The molecular weight of 4-(Bromomethyl)benzoylformate is 240.95 g/mol.
Where can I buy 4-(Bromomethyl)benzoylformate?
You can request a quote for 4-(Bromomethyl)benzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)benzoylformate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)benzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.