4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸
TL;DR: 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 (CAS 177594-45-5) is a chemical compound with molecular formula C20H12O5 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸
4-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: starbld0021667, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, 4-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid, 4-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid, 4-(3-Oxo-6-hydroxy-3H-xanthen-9-yl)benzoic acid
| Molecular Formula | C20H12O5 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.06848 |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 177594-45-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O |
| InChIKey | OZMRYYNVDYZHQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 (CAS 177594-45-5), with molecular formula C20H12O5 and molecular weight 332.07 g/mol. IUPAC: 4-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.
Chemical Property Profile of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸
Property Insights of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸. Following Lipinski's Rule of Five, 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 has 2 hydrogen bond donor(s) and 5 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-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸?
The CAS number of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 is 177594-45-5.
What is the molecular formula of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸?
The molecular formula of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 is C20H12O5.
What is the molecular weight of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸?
The molecular weight of 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 is 332.07 g/mol.
Where can I buy 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸?
You can request a quote for 4-(6-羟基-3-氧代-3H-呫吨-9-基)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-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-羟基-3-氧代-3H-呫吨-9-基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.