乙酰水杨酰氯
TL;DR: 乙酰水杨酰氯 (CAS 5538-51-2) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰水杨酰氯
(2-carbonochloridoylphenyl) acetate
Also Known As: 2-Acetoxybenzoyl chloride, o-Acetylsalicyloyl chloride, 2-(Chlorocarbonyl)phenyl acetate, Acetylsalicyloyl chloride, Aspirin chloride
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.00838 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5538-51-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)Cl |
| InChIKey | DSGKWFGEUBCEIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰水杨酰氯 (CAS 5538-51-2), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: (2-carbonochloridoylphenyl) acetate.
Chemical Property Profile of 乙酰水杨酰氯
Property Insights of 乙酰水杨酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰水杨酰氯. With a topological polar surface area (TPSA) of 43.4 Ų, 乙酰水杨酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰水杨酰氯 has 0 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 乙酰水杨酰氯?
The CAS number of 乙酰水杨酰氯 is 5538-51-2.
What is the molecular formula of 乙酰水杨酰氯?
The molecular formula of 乙酰水杨酰氯 is C9H7ClO3.
What is the molecular weight of 乙酰水杨酰氯?
The molecular weight of 乙酰水杨酰氯 is 198.01 g/mol.
Where can I buy 乙酰水杨酰氯?
You can request a quote for 乙酰水杨酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰水杨酰氯?
Yes, KEHONG BIO provides custom synthesis services for 乙酰水杨酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.