4-甲氧基苯甲酸羧甲基酯
TL;DR: 4-甲氧基苯甲酸羧甲基酯 (CAS 10414-68-3) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苯甲酸羧甲基酯
2-(4-methoxybenzoyl)oxyacetic acid
Also Known As: 4-Mboaa, 4-Methoxybenzoyloxyacetic acid, ((4-Methoxybenzoyl)oxy)acetic acid, [(4-methoxybenzoyl)oxy]acetic acid, 2-((4-methoxybenzoyl)oxy)acetic acid
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 10414-68-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC(=O)O |
| InChIKey | MZSAEUPZUUESSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯甲酸羧甲基酯 (CAS 10414-68-3), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: 2-(4-methoxybenzoyl)oxyacetic acid.
Chemical Property Profile of 4-甲氧基苯甲酸羧甲基酯
Property Insights of 4-甲氧基苯甲酸羧甲基酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯甲酸羧甲基酯. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基苯甲酸羧甲基酯. Following Lipinski's Rule of Five, 4-甲氧基苯甲酸羧甲基酯 has 1 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 4-甲氧基苯甲酸羧甲基酯?
The CAS number of 4-甲氧基苯甲酸羧甲基酯 is 10414-68-3.
What is the molecular formula of 4-甲氧基苯甲酸羧甲基酯?
The molecular formula of 4-甲氧基苯甲酸羧甲基酯 is C10H10O5.
What is the molecular weight of 4-甲氧基苯甲酸羧甲基酯?
The molecular weight of 4-甲氧基苯甲酸羧甲基酯 is 210.05 g/mol.
Where can I buy 4-甲氧基苯甲酸羧甲基酯?
You can request a quote for 4-甲氧基苯甲酸羧甲基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯甲酸羧甲基酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯甲酸羧甲基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.