2-苯甲酰基-5-氯苯甲酸
TL;DR: 2-苯甲酰基-5-氯苯甲酸 (CAS 1147-42-8) is a chemical compound with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯甲酰基-5-氯苯甲酸
2-benzoyl-5-chlorobenzoic acid
Also Known As: 2-benzoyl-5-chlorobenzoic acid, BENZOIC ACID, 2-BENZOYL-5-CHLORO-, 4-Chlorobenzophenone-2-carboxylic acid, 2-benzoyl-5-chloro-benzoic acid, 2-CARBOXY-4 -CHLOROBENZOPHENONE
| Molecular Formula | C14H9ClO3 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02402 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 1147-42-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)C(=O)O |
| InChIKey | LSVPCSOPJGPTNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯甲酰基-5-氯苯甲酸 (CAS 1147-42-8), with molecular formula C14H9ClO3 and molecular weight 260.02 g/mol. IUPAC: 2-benzoyl-5-chlorobenzoic acid.
Chemical Property Profile of 2-苯甲酰基-5-氯苯甲酸
Property Insights of 2-苯甲酰基-5-氯苯甲酸
The XLogP value of 3.5 indicates that 2-苯甲酰基-5-氯苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-苯甲酰基-5-氯苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯甲酰基-5-氯苯甲酸 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 2-苯甲酰基-5-氯苯甲酸?
The CAS number of 2-苯甲酰基-5-氯苯甲酸 is 1147-42-8.
What is the molecular formula of 2-苯甲酰基-5-氯苯甲酸?
The molecular formula of 2-苯甲酰基-5-氯苯甲酸 is C14H9ClO3.
What is the molecular weight of 2-苯甲酰基-5-氯苯甲酸?
The molecular weight of 2-苯甲酰基-5-氯苯甲酸 is 260.02 g/mol.
Where can I buy 2-苯甲酰基-5-氯苯甲酸?
You can request a quote for 2-苯甲酰基-5-氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯甲酰基-5-氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苯甲酰基-5-氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.