Benzoic acid, 2,5-bis(bromomethyl)-
TL;DR: Benzoic acid, 2,5-bis(bromomethyl)- (CAS 148692-70-0) 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.
2,5-bis(bromomethyl)benzoic acid
Also Known As: 2,5-bis(bromomethyl)benzoic acid, Benzoic acid, 2,5-bis(bromomethyl)-, N-Isopropylhydrazin-N'-carbonsaeureamid, J1.465.653G, RefChem:326563
| 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 | 184.0 |
Chemical Identifiers
| CAS Number | 148692-70-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CBr)C(=O)O)CBr |
| InChIKey | RPCHGSCSAZJADQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,5-bis(bromomethyl)- (CAS 148692-70-0), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: 2,5-bis(bromomethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2,5-bis(bromomethyl)-
Property Insights of Benzoic acid, 2,5-bis(bromomethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,5-bis(bromomethyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 2,5-bis(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,5-bis(bromomethyl)- 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 Benzoic acid, 2,5-bis(bromomethyl)-?
The CAS number of Benzoic acid, 2,5-bis(bromomethyl)- is 148692-70-0.
What is the molecular formula of Benzoic acid, 2,5-bis(bromomethyl)-?
The molecular formula of Benzoic acid, 2,5-bis(bromomethyl)- is C9H8Br2O2.
What is the molecular weight of Benzoic acid, 2,5-bis(bromomethyl)-?
The molecular weight of Benzoic acid, 2,5-bis(bromomethyl)- is 305.89 g/mol.
Where can I buy Benzoic acid, 2,5-bis(bromomethyl)-?
You can request a quote for Benzoic acid, 2,5-bis(bromomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,5-bis(bromomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,5-bis(bromomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.