3,5-Bis(bromomethyl)benzoate
TL;DR: 3,5-Bis(bromomethyl)benzoate (CAS 94111-75-8) 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-bis(bromomethyl)benzoic acid
Also Known As: 3,5-bis(bromomethyl)benzoic acid, 3,5-bis(bromomethyl)benzoate, 3,5-bis(bromomethyl)benzoicacid, Benzoic acid,3,5-bis(bromomethyl)-, RefChem:271477
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.8891 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 94111-75-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1CBr)C(=O)O)CBr |
| InChIKey | RZTUPNXWTOBHSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(bromomethyl)benzoate (CAS 94111-75-8), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: 3,5-bis(bromomethyl)benzoic acid.
Chemical Property Profile of 3,5-Bis(bromomethyl)benzoate
Property Insights of 3,5-Bis(bromomethyl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(bromomethyl)benzoate. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(bromomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(bromomethyl)benzoate has 1 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-Bis(bromomethyl)benzoate?
The CAS number of 3,5-Bis(bromomethyl)benzoate is 94111-75-8.
What is the molecular formula of 3,5-Bis(bromomethyl)benzoate?
The molecular formula of 3,5-Bis(bromomethyl)benzoate is C9H8Br2O2.
What is the molecular weight of 3,5-Bis(bromomethyl)benzoate?
The molecular weight of 3,5-Bis(bromomethyl)benzoate is 305.89 g/mol.
Where can I buy 3,5-Bis(bromomethyl)benzoate?
You can request a quote for 3,5-Bis(bromomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(bromomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(bromomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.