Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate
TL;DR: Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 94108-77-7) is a chemical compound with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-4-hydroxy-5-methoxybenzoate
Also Known As: Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate, EINECS 302-415-5, ethyl3-chloro-4-hydroxy-5-methoxybenzoate, ethyl 3-chloro-4-hydroxy-5-methoxy-benzoate, 4CH-019646
| Molecular Formula | C10H11ClO4 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 2.2309 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03459 |
| Heavy Atoms | 15 |
| Complexity | 375.9303 |
Chemical Identifiers
| CAS Number | 94108-77-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Cl)O)OC |
Product Overview
Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 94108-77-7), with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol. IUPAC: ethyl 3-chloro-4-hydroxy-5-methoxybenzoate.
Chemical Property Profile of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate
Property Insights of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate
The XLogP value of 2.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate. With a topological polar surface area (TPSA) of 55.76 Ų, Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate has 1 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 Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The CAS number of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate is 94108-77-7.
What is the molecular formula of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular formula of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate is C10H11ClO4.
What is the molecular weight of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular weight of Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate is 230.03 g/mol.
Where can I buy Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate?
You can request a quote for Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.