4-苯甲酰苯甲酸
TL;DR: 4-苯甲酰苯甲酸 (CAS 611-95-0) is a chemical compound with molecular formula C14H10O3 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯甲酰苯甲酸
4-benzoylbenzoic acid
Also Known As: 4-Benzoylbenzoic acid, p-Benzoylbenzoic acid, 4-Carboxybenzophenone, Benzoic acid, 4-benzoyl-, 4-Bromobenzhydrol
| Molecular Formula | C14H10O3 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.06299 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 611-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O |
| InChIKey | IFQUPKAISSPFTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯甲酰苯甲酸 (CAS 611-95-0), with molecular formula C14H10O3 and molecular weight 226.06 g/mol. IUPAC: 4-benzoylbenzoic acid.
Chemical Property Profile of 4-苯甲酰苯甲酸
Property Insights of 4-苯甲酰苯甲酸
The XLogP value of 3.0 indicates that 4-苯甲酰苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-苯甲酰苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯甲酰苯甲酸 has 1 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-苯甲酰苯甲酸?
The CAS number of 4-苯甲酰苯甲酸 is 611-95-0.
What is the molecular formula of 4-苯甲酰苯甲酸?
The molecular formula of 4-苯甲酰苯甲酸 is C14H10O3.
What is the molecular weight of 4-苯甲酰苯甲酸?
The molecular weight of 4-苯甲酰苯甲酸 is 226.06 g/mol.
Where can I buy 4-苯甲酰苯甲酸?
You can request a quote for 4-苯甲酰苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯甲酰苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯甲酰苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.