苯甲酸盐
TL;DR: 苯甲酸盐 (CAS 766-76-7) is a chemical compound with molecular formula C7H5O2- and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸盐
benzoate
Also Known As: benzoate, benzoic acid, Phenylformate, Benzeneformate, sodium benzoate
| Molecular Formula | C7H5O2- |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.02895 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 766-76-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-M |
Product Overview
苯甲酸盐 (CAS 766-76-7), with molecular formula C7H5O2- and molecular weight 121.03 g/mol. IUPAC: benzoate.
Chemical Property Profile of 苯甲酸盐
Property Insights of 苯甲酸盐
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸盐. With a topological polar surface area (TPSA) of 40.1 Ų, 苯甲酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸盐 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 苯甲酸盐?
The CAS number of 苯甲酸盐 is 766-76-7.
What is the molecular formula of 苯甲酸盐?
The molecular formula of 苯甲酸盐 is C7H5O2-.
What is the molecular weight of 苯甲酸盐?
The molecular weight of 苯甲酸盐 is 121.03 g/mol.
Where can I buy 苯甲酸盐?
You can request a quote for 苯甲酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸盐?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.