3-羟基-N-乙酰氨茴酸
TL;DR: 3-羟基-N-乙酰氨茴酸 (CAS 135891-44-0) 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.
3-羟基-N-乙酰氨茴酸
2-acetamido-3-hydroxybenzoic acid
Also Known As: 3-Ahaa, 2-acetamido-3-hydroxybenzoic acid, 3-Hydroxy-N-acetylanthranilic acid, BENZOIC ACID, 2-(ACETYLAMINO)-3-HYDROXY-, Benzoic acid, 2-(acetylamino)-3-hydroxy- (9CI)
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 135891-44-0 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC=C1O)C(=O)O |
| InChIKey | HKAWFFIGVUOBQV-UHFFFAOYSA-N |
Product Overview
3-羟基-N-乙酰氨茴酸 (CAS 135891-44-0), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-acetamido-3-hydroxybenzoic acid.
Chemical Property Profile of 3-羟基-N-乙酰氨茴酸
Property Insights of 3-羟基-N-乙酰氨茴酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-N-乙酰氨茴酸. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羟基-N-乙酰氨茴酸. Following Lipinski's Rule of Five, 3-羟基-N-乙酰氨茴酸 has 3 hydrogen bond donor(s) and 4 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-羟基-N-乙酰氨茴酸?
The CAS number of 3-羟基-N-乙酰氨茴酸 is 135891-44-0.
What is the molecular formula of 3-羟基-N-乙酰氨茴酸?
The molecular formula of 3-羟基-N-乙酰氨茴酸 is C9H9NO4.
What is the molecular weight of 3-羟基-N-乙酰氨茴酸?
The molecular weight of 3-羟基-N-乙酰氨茴酸 is 195.05 g/mol.
Where can I buy 3-羟基-N-乙酰氨茴酸?
You can request a quote for 3-羟基-N-乙酰氨茴酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-N-乙酰氨茴酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-N-乙酰氨茴酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.