乙酰基-4-氨基水杨酸
TL;DR: 乙酰基-4-氨基水杨酸 (CAS 102338-89-6) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰基-4-氨基水杨酸
2-acetyloxy-4-aminobenzoic acid
Also Known As: Acetyl 4-aminosalicylic acid, Acetyl-pas-saeure, AcPAS, Acetyl p-aminosalicylic acid, 2-acetyloxy-4-aminobenzoic acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 102338-89-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)N)C(=O)O |
| InChIKey | OGBZOXBEULJKHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰基-4-氨基水杨酸 (CAS 102338-89-6), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-acetyloxy-4-aminobenzoic acid.
Chemical Property Profile of 乙酰基-4-氨基水杨酸
Property Insights of 乙酰基-4-氨基水杨酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰基-4-氨基水杨酸. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酰基-4-氨基水杨酸. Following Lipinski's Rule of Five, 乙酰基-4-氨基水杨酸 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 乙酰基-4-氨基水杨酸?
The CAS number of 乙酰基-4-氨基水杨酸 is 102338-89-6.
What is the molecular formula of 乙酰基-4-氨基水杨酸?
The molecular formula of 乙酰基-4-氨基水杨酸 is C9H9NO4.
What is the molecular weight of 乙酰基-4-氨基水杨酸?
The molecular weight of 乙酰基-4-氨基水杨酸 is 195.05 g/mol.
Where can I buy 乙酰基-4-氨基水杨酸?
You can request a quote for 乙酰基-4-氨基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰基-4-氨基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 乙酰基-4-氨基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.