3,4,5-三(乙酰氧基)苯甲酸
TL;DR: 3,4,5-三(乙酰氧基)苯甲酸 (CAS 6635-24-1) is a chemical compound with molecular formula C13H12O8 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-三(乙酰氧基)苯甲酸
3,4,5-triacetyloxybenzoic acid
Also Known As: 3,4,5-triacetoxybenzoic acid, 3,4,5-tris(acetyloxy)benzoic acid, 3,4,5-triacetyloxybenzoic acid, Triacetylgallussaure, Triacetylgallussaeure
| Molecular Formula | C13H12O8 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.05322 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 6635-24-1 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)O |
| InChIKey | BJCGLAAQSUGMKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三(乙酰氧基)苯甲酸 (CAS 6635-24-1), with molecular formula C13H12O8 and molecular weight 296.05 g/mol. IUPAC: 3,4,5-triacetyloxybenzoic acid.
Chemical Property Profile of 3,4,5-三(乙酰氧基)苯甲酸
Property Insights of 3,4,5-三(乙酰氧基)苯甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-三(乙酰氧基)苯甲酸. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-三(乙酰氧基)苯甲酸. Following Lipinski's Rule of Five, 3,4,5-三(乙酰氧基)苯甲酸 has 1 hydrogen bond donor(s) and 8 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 3,4,5-三(乙酰氧基)苯甲酸?
The CAS number of 3,4,5-三(乙酰氧基)苯甲酸 is 6635-24-1.
What is the molecular formula of 3,4,5-三(乙酰氧基)苯甲酸?
The molecular formula of 3,4,5-三(乙酰氧基)苯甲酸 is C13H12O8.
What is the molecular weight of 3,4,5-三(乙酰氧基)苯甲酸?
The molecular weight of 3,4,5-三(乙酰氧基)苯甲酸 is 296.05 g/mol.
Where can I buy 3,4,5-三(乙酰氧基)苯甲酸?
You can request a quote for 3,4,5-三(乙酰氧基)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 3,4,5-三(乙酰氧基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三(乙酰氧基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.