乙酰邻苯二甲酸
TL;DR: 乙酰邻苯二甲酸 (CAS 93940-26-2) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰邻苯二甲酸
3-acetylphthalic acid
Also Known As: Acetylphthalic acid, acetylphthalicacid, 3-acetylphthalic acid, EINECS 300-420-7, 1,2-Benzenedicarboxylic acid, acetyl- (9CI)
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.2856 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 414.876 |
Chemical Identifiers
| CAS Number | 93940-26-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC=C1)C(=O)O)C(=O)O |
Product Overview
乙酰邻苯二甲酸 (CAS 93940-26-2), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 3-acetylphthalic acid.
Chemical Property Profile of 乙酰邻苯二甲酸
Property Insights of 乙酰邻苯二甲酸
The XLogP value of 1.2856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰邻苯二甲酸. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酰邻苯二甲酸. Following Lipinski's Rule of Five, 乙酰邻苯二甲酸 has 2 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 乙酰邻苯二甲酸?
The CAS number of 乙酰邻苯二甲酸 is 93940-26-2.
What is the molecular formula of 乙酰邻苯二甲酸?
The molecular formula of 乙酰邻苯二甲酸 is C10H8O5.
What is the molecular weight of 乙酰邻苯二甲酸?
The molecular weight of 乙酰邻苯二甲酸 is 208.04 g/mol.
Where can I buy 乙酰邻苯二甲酸?
You can request a quote for 乙酰邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 乙酰邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.