4-乙酰氧基-3-甲氧基苯甲酰氯
TL;DR: 4-乙酰氧基-3-甲氧基苯甲酰氯 (CAS 56681-66-4) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酰氧基-3-甲氧基苯甲酰氯
(4-carbonochloridoyl-2-methoxyphenyl) acetate
Also Known As: 4-Acetoxy-3-methoxybenzoyl chloride, n-(2-hydroxyethyl)glycine(hegly), (4-carbonochloridoyl-2-methoxyphenyl) acetate, n-(2-hydroxy, thyl)glycine(hegly)
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 56681-66-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(=O)Cl)OC |
| InChIKey | YRZKSSFRGXBQKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙酰氧基-3-甲氧基苯甲酰氯 (CAS 56681-66-4), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: (4-carbonochloridoyl-2-methoxyphenyl) acetate.
Chemical Property Profile of 4-乙酰氧基-3-甲氧基苯甲酰氯
Property Insights of 4-乙酰氧基-3-甲氧基苯甲酰氯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酰氧基-3-甲氧基苯甲酰氯. With a topological polar surface area (TPSA) of 52.6 Ų, 4-乙酰氧基-3-甲氧基苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙酰氧基-3-甲氧基苯甲酰氯 has 0 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 4-乙酰氧基-3-甲氧基苯甲酰氯?
The CAS number of 4-乙酰氧基-3-甲氧基苯甲酰氯 is 56681-66-4.
What is the molecular formula of 4-乙酰氧基-3-甲氧基苯甲酰氯?
The molecular formula of 4-乙酰氧基-3-甲氧基苯甲酰氯 is C10H9ClO4.
What is the molecular weight of 4-乙酰氧基-3-甲氧基苯甲酰氯?
The molecular weight of 4-乙酰氧基-3-甲氧基苯甲酰氯 is 228.02 g/mol.
Where can I buy 4-乙酰氧基-3-甲氧基苯甲酰氯?
You can request a quote for 4-乙酰氧基-3-甲氧基苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙酰氧基-3-甲氧基苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酰氧基-3-甲氧基苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.